CNRS Nantes University US2B US2B
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LOGs for ID: 2406101858502122271

output from eigenvector calculation:


STDOUT:
CUTOFF set to default value (CUTOFF=8) Build Tirion matrix: Pdbmat> Computes the Hessian matrix, using an Elastic Network Model. Pdbmat> Version 3.50, Fevrier 2004. Pdbmat> Options to be read in pdbmat.dat file. Pdbmat> Coordinate filename = 2406101858502122271.atom Pdbmat> Distance cutoff = 8.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2406101858502122271.atom to be opened. Openam> File opened: 2406101858502122271.atom Pdbmat> Coordinate file in PDB format. Rdatompdb> Reading pdb file. Rdatompdb> End of file reached. Rdatompdb> Number of I/O errors: 0 Rdatompdb> Number of residues found = 2180 First residue number = 1 Last residue number = 545 Number of atoms found = 17744 Mean number per residue = 8.1 Pdbmat> Coordinate statistics: = -2.564277 +/- 30.345614 From: -95.390000 To: 81.444000 = 0.004722 +/- 25.797717 From: -76.449000 To: 51.428000 = 4.283538 +/- 26.795186 From: -72.830000 To: 57.008000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is -0.8495 % Filled. Pdbmat> 6206529 non-zero elements. Pdbmat> 677885 atom-atom interactions. Pdbmat> Number per atom= 76.41 +/- 21.25 Maximum number = 128 Minimum number = 9 Pdbmat> Matrix trace = 1.355770E+07 Pdbmat> Larger element = 501.656 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 2180 non-zero elements, NRBL set to 11 Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 2406101858502122271.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 11 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 2406101858502122271.atom to be opened. Openam> file on opening on unit 11: 2406101858502122271.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 17744 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 11 residue(s) per block. Blocpdb> 2180 residues. Blocpdb> 91 atoms in block 1 Block first atom: 1 Blocpdb> 91 atoms in block 2 Block first atom: 92 Blocpdb> 96 atoms in block 3 Block first atom: 183 Blocpdb> 91 atoms in block 4 Block first atom: 279 Blocpdb> 89 atoms in block 5 Block first atom: 370 Blocpdb> 80 atoms in block 6 Block first atom: 459 Blocpdb> 88 atoms in block 7 Block first atom: 539 Blocpdb> 90 atoms in block 8 Block first atom: 627 Blocpdb> 85 atoms in block 9 Block first atom: 717 Blocpdb> 81 atoms in block 10 Block first atom: 802 Blocpdb> 89 atoms in block 11 Block first atom: 883 Blocpdb> 96 atoms in block 12 Block first atom: 972 Blocpdb> 99 atoms in block 13 Block first atom: 1068 Blocpdb> 103 atoms in block 14 Block first atom: 1167 Blocpdb> 79 atoms in block 15 Block first atom: 1270 Blocpdb> 89 atoms in block 16 Block first atom: 1349 Blocpdb> 88 atoms in block 17 Block first atom: 1438 Blocpdb> 86 atoms in block 18 Block first atom: 1526 Blocpdb> 87 atoms in block 19 Block first atom: 1612 Blocpdb> 87 atoms in block 20 Block first atom: 1699 Blocpdb> 80 atoms in block 21 Block first atom: 1786 Blocpdb> 100 atoms in block 22 Block first atom: 1866 Blocpdb> 88 atoms in block 23 Block first atom: 1966 Blocpdb> 94 atoms in block 24 Block first atom: 2054 Blocpdb> 95 atoms in block 25 Block first atom: 2148 Blocpdb> 84 atoms in block 26 Block first atom: 2243 Blocpdb> 91 atoms in block 27 Block first atom: 2327 Blocpdb> 88 atoms in block 28 Block first atom: 2418 Blocpdb> 80 atoms in block 29 Block first atom: 2506 Blocpdb> 82 atoms in block 30 Block first atom: 2586 Blocpdb> 92 atoms in block 31 Block first atom: 2668 Blocpdb> 88 atoms in block 32 Block first atom: 2760 Blocpdb> 96 atoms in block 33 Block first atom: 2848 Blocpdb> 89 atoms in block 34 Block first atom: 2944 Blocpdb> 81 atoms in block 35 Block first atom: 3033 Blocpdb> 91 atoms in block 36 Block first atom: 3114 Blocpdb> 89 atoms in block 37 Block first atom: 3205 Blocpdb> 92 atoms in block 38 Block first atom: 3294 Blocpdb> 98 atoms in block 39 Block first atom: 3386 Blocpdb> 91 atoms in block 40 Block first atom: 3484 Blocpdb> 92 atoms in block 41 Block first atom: 3575 Blocpdb> 93 atoms in block 42 Block first atom: 3667 Blocpdb> 84 atoms in block 43 Block first atom: 3760 Blocpdb> 88 atoms in block 44 Block first atom: 3844 Blocpdb> 91 atoms in block 45 Block first atom: 3932 Blocpdb> 94 atoms in block 46 Block first atom: 4023 Blocpdb> 91 atoms in block 47 Block first atom: 4117 Blocpdb> 82 atoms in block 48 Block first atom: 4208 Blocpdb> 99 atoms in block 49 Block first atom: 4290 Blocpdb> 48 atoms in block 50 Block first atom: 4389 Blocpdb> 91 atoms in block 51 Block first atom: 4437 Blocpdb> 91 atoms in block 52 Block first atom: 4528 Blocpdb> 96 atoms in block 53 Block first atom: 4619 Blocpdb> 91 atoms in block 54 Block first atom: 4715 Blocpdb> 89 atoms in block 55 Block first atom: 4806 Blocpdb> 80 atoms in block 56 Block first atom: 4895 Blocpdb> 88 atoms in block 57 Block first atom: 4975 Blocpdb> 90 atoms in block 58 Block first atom: 5063 Blocpdb> 85 atoms in block 59 Block first atom: 5153 Blocpdb> 81 atoms in block 60 Block first atom: 5238 Blocpdb> 89 atoms in block 61 Block first atom: 5319 Blocpdb> 96 atoms in block 62 Block first atom: 5408 Blocpdb> 99 atoms in block 63 Block first atom: 5504 Blocpdb> 103 atoms in block 64 Block first atom: 5603 Blocpdb> 79 atoms in block 65 Block first atom: 5706 Blocpdb> 89 atoms in block 66 Block first atom: 5785 Blocpdb> 88 atoms in block 67 Block first atom: 5874 Blocpdb> 86 atoms in block 68 Block first atom: 5962 Blocpdb> 87 atoms in block 69 Block first atom: 6048 Blocpdb> 87 atoms in block 70 Block first atom: 6135 Blocpdb> 80 atoms in block 71 Block first atom: 6222 Blocpdb> 100 atoms in block 72 Block first atom: 6302 Blocpdb> 88 atoms in block 73 Block first atom: 6402 Blocpdb> 94 atoms in block 74 Block first atom: 6490 Blocpdb> 95 atoms in block 75 Block first atom: 6584 Blocpdb> 84 atoms in block 76 Block first atom: 6679 Blocpdb> 91 atoms in block 77 Block first atom: 6763 Blocpdb> 88 atoms in block 78 Block first atom: 6854 Blocpdb> 80 atoms in block 79 Block first atom: 6942 Blocpdb> 82 atoms in block 80 Block first atom: 7022 Blocpdb> 92 atoms in block 81 Block first atom: 7104 Blocpdb> 88 atoms in block 82 Block first atom: 7196 Blocpdb> 96 atoms in block 83 Block first atom: 7284 Blocpdb> 89 atoms in block 84 Block first atom: 7380 Blocpdb> 81 atoms in block 85 Block first atom: 7469 Blocpdb> 91 atoms in block 86 Block first atom: 7550 Blocpdb> 89 atoms in block 87 Block first atom: 7641 Blocpdb> 92 atoms in block 88 Block first atom: 7730 Blocpdb> 98 atoms in block 89 Block first atom: 7822 Blocpdb> 91 atoms in block 90 Block first atom: 7920 Blocpdb> 92 atoms in block 91 Block first atom: 8011 Blocpdb> 93 atoms in block 92 Block first atom: 8103 Blocpdb> 84 atoms in block 93 Block first atom: 8196 Blocpdb> 88 atoms in block 94 Block first atom: 8280 Blocpdb> 91 atoms in block 95 Block first atom: 8368 Blocpdb> 94 atoms in block 96 Block first atom: 8459 Blocpdb> 91 atoms in block 97 Block first atom: 8553 Blocpdb> 82 atoms in block 98 Block first atom: 8644 Blocpdb> 99 atoms in block 99 Block first atom: 8726 Blocpdb> 48 atoms in block 100 Block first atom: 8825 Blocpdb> 91 atoms in block 101 Block first atom: 8873 Blocpdb> 91 atoms in block 102 Block first atom: 8964 Blocpdb> 96 atoms in block 103 Block first atom: 9055 Blocpdb> 91 atoms in block 104 Block first atom: 9151 Blocpdb> 89 atoms in block 105 Block first atom: 9242 Blocpdb> 80 atoms in block 106 Block first atom: 9331 Blocpdb> 88 atoms in block 107 Block first atom: 9411 Blocpdb> 90 atoms in block 108 Block first atom: 9499 Blocpdb> 85 atoms in block 109 Block first atom: 9589 Blocpdb> 81 atoms in block 110 Block first atom: 9674 Blocpdb> 89 atoms in block 111 Block first atom: 9755 Blocpdb> 96 atoms in block 112 Block first atom: 9844 Blocpdb> 99 atoms in block 113 Block first atom: 9940 Blocpdb> 103 atoms in block 114 Block first atom: 10039 Blocpdb> 79 atoms in block 115 Block first atom: 10142 Blocpdb> 89 atoms in block 116 Block first atom: 10221 Blocpdb> 88 atoms in block 117 Block first atom: 10310 Blocpdb> 86 atoms in block 118 Block first atom: 10398 Blocpdb> 87 atoms in block 119 Block first atom: 10484 Blocpdb> 87 atoms in block 120 Block first atom: 10571 Blocpdb> 80 atoms in block 121 Block first atom: 10658 Blocpdb> 100 atoms in block 122 Block first atom: 10738 Blocpdb> 88 atoms in block 123 Block first atom: 10838 Blocpdb> 94 atoms in block 124 Block first atom: 10926 Blocpdb> 95 atoms in block 125 Block first atom: 11020 Blocpdb> 84 atoms in block 126 Block first atom: 11115 Blocpdb> 91 atoms in block 127 Block first atom: 11199 Blocpdb> 88 atoms in block 128 Block first atom: 11290 Blocpdb> 80 atoms in block 129 Block first atom: 11378 Blocpdb> 82 atoms in block 130 Block first atom: 11458 Blocpdb> 92 atoms in block 131 Block first atom: 11540 Blocpdb> 88 atoms in block 132 Block first atom: 11632 Blocpdb> 96 atoms in block 133 Block first atom: 11720 Blocpdb> 89 atoms in block 134 Block first atom: 11816 Blocpdb> 81 atoms in block 135 Block first atom: 11905 Blocpdb> 91 atoms in block 136 Block first atom: 11986 Blocpdb> 89 atoms in block 137 Block first atom: 12077 Blocpdb> 92 atoms in block 138 Block first atom: 12166 Blocpdb> 98 atoms in block 139 Block first atom: 12258 Blocpdb> 91 atoms in block 140 Block first atom: 12356 Blocpdb> 92 atoms in block 141 Block first atom: 12447 Blocpdb> 93 atoms in block 142 Block first atom: 12539 Blocpdb> 84 atoms in block 143 Block first atom: 12632 Blocpdb> 88 atoms in block 144 Block first atom: 12716 Blocpdb> 91 atoms in block 145 Block first atom: 12804 Blocpdb> 94 atoms in block 146 Block first atom: 12895 Blocpdb> 91 atoms in block 147 Block first atom: 12989 Blocpdb> 82 atoms in block 148 Block first atom: 13080 Blocpdb> 99 atoms in block 149 Block first atom: 13162 Blocpdb> 48 atoms in block 150 Block first atom: 13261 Blocpdb> 91 atoms in block 151 Block first atom: 13309 Blocpdb> 91 atoms in block 152 Block first atom: 13400 Blocpdb> 96 atoms in block 153 Block first atom: 13491 Blocpdb> 91 atoms in block 154 Block first atom: 13587 Blocpdb> 89 atoms in block 155 Block first atom: 13678 Blocpdb> 80 atoms in block 156 Block first atom: 13767 Blocpdb> 88 atoms in block 157 Block first atom: 13847 Blocpdb> 90 atoms in block 158 Block first atom: 13935 Blocpdb> 85 atoms in block 159 Block first atom: 14025 Blocpdb> 81 atoms in block 160 Block first atom: 14110 Blocpdb> 89 atoms in block 161 Block first atom: 14191 Blocpdb> 96 atoms in block 162 Block first atom: 14280 Blocpdb> 99 atoms in block 163 Block first atom: 14376 Blocpdb> 103 atoms in block 164 Block first atom: 14475 Blocpdb> 79 atoms in block 165 Block first atom: 14578 Blocpdb> 89 atoms in block 166 Block first atom: 14657 Blocpdb> 88 atoms in block 167 Block first atom: 14746 Blocpdb> 86 atoms in block 168 Block first atom: 14834 Blocpdb> 87 atoms in block 169 Block first atom: 14920 Blocpdb> 87 atoms in block 170 Block first atom: 15007 Blocpdb> 80 atoms in block 171 Block first atom: 15094 Blocpdb> 100 atoms in block 172 Block first atom: 15174 Blocpdb> 88 atoms in block 173 Block first atom: 15274 Blocpdb> 94 atoms in block 174 Block first atom: 15362 Blocpdb> 95 atoms in block 175 Block first atom: 15456 Blocpdb> 84 atoms in block 176 Block first atom: 15551 Blocpdb> 91 atoms in block 177 Block first atom: 15635 Blocpdb> 88 atoms in block 178 Block first atom: 15726 Blocpdb> 80 atoms in block 179 Block first atom: 15814 Blocpdb> 82 atoms in block 180 Block first atom: 15894 Blocpdb> 92 atoms in block 181 Block first atom: 15976 Blocpdb> 88 atoms in block 182 Block first atom: 16068 Blocpdb> 96 atoms in block 183 Block first atom: 16156 Blocpdb> 89 atoms in block 184 Block first atom: 16252 Blocpdb> 81 atoms in block 185 Block first atom: 16341 Blocpdb> 91 atoms in block 186 Block first atom: 16422 Blocpdb> 89 atoms in block 187 Block first atom: 16513 Blocpdb> 92 atoms in block 188 Block first atom: 16602 Blocpdb> 98 atoms in block 189 Block first atom: 16694 Blocpdb> 91 atoms in block 190 Block first atom: 16792 Blocpdb> 92 atoms in block 191 Block first atom: 16883 Blocpdb> 93 atoms in block 192 Block first atom: 16975 Blocpdb> 84 atoms in block 193 Block first atom: 17068 Blocpdb> 88 atoms in block 194 Block first atom: 17152 Blocpdb> 91 atoms in block 195 Block first atom: 17240 Blocpdb> 94 atoms in block 196 Block first atom: 17331 Blocpdb> 91 atoms in block 197 Block first atom: 17425 Blocpdb> 82 atoms in block 198 Block first atom: 17516 Blocpdb> 99 atoms in block 199 Block first atom: 17598 Blocpdb> 48 atoms in block 200 Block first atom: 17696 Blocpdb> 200 blocks. Blocpdb> At most, 103 atoms in each of them. Blocpdb> At least, 48 atoms in each of them. Blocpdb> Normal end of Blocpdb. Diagrtb> Memory allocation for Prepmat. Diagrtb> Memory allocation for RTB. Diagrtb> Memory allocation for Diagstd. Diagrtb> Memory allocation for RTB_to_modes. Prepmat> Entering in. Prepmat> Rewriting of the matrix begins. Prepmat> 6206729 matrix lines read. Prepmat> Matrix order = 53232 Prepmat> Matrix trace = 13557700.0001 Prepmat> Last element read: 53232 53232 104.3751 Prepmat> 20101 lines saved. Prepmat> 18788 empty lines. Prepmat> Number of lines on output is as expected. Prepmat> Normal end of Prepmat. RTB> Entering in. RTB> Number of atoms found in temporary coordinate file: 17744 RTB> Total mass = 17744.0000 RTB> Number of atoms found in matrix: 17744 RTB> Number of blocks = 200 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 154060.1232 RTB> 44232 non-zero elements. RTB> Normal end of RTB. Diagstd> Entering in. Openam> file on opening on unit 10: diagrtb_work.sdijb Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb Diagstd> CERFACS matrix format. Diagstd> Projected matrix order = 1200 Diagstd> Nb of non-zero elements: 44232 Diagstd> Projected matrix trace = 154060.1232 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1200 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 154060.1232 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000 Diagstd> Selected eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0576551 0.0702495 0.1087501 0.1296352 0.1959344 0.2033919 0.2434123 0.2615850 0.3524798 0.4468416 0.5157070 0.6510644 0.6679560 0.7042479 0.7676575 0.7931918 0.8642095 0.9049907 0.9402701 1.1034060 1.1334337 1.2255040 1.2629369 1.3053690 1.5324182 1.6340123 1.7957950 1.8884069 1.9345629 2.0484592 2.2167442 2.2722852 2.3747454 2.6161049 2.6729644 2.7855035 2.9746072 3.0877354 3.1415588 3.2864569 3.3608417 3.4159579 3.7001730 3.7862990 3.9110653 3.9720115 4.0161503 4.0538757 4.0991571 4.1930470 4.4800339 4.5097288 4.7183977 4.9042175 5.0583005 5.1548689 5.2215640 5.4592150 5.5221604 5.7213598 5.7657707 5.9967330 6.0988981 6.3103120 6.4587251 6.7387001 6.8228583 6.8981481 7.1050941 7.9430038 8.0657592 8.4957674 8.5800445 8.6220364 8.8324849 8.9066715 9.3016676 9.4519404 9.5494868 9.7279548 9.9073903 10.1309876 10.2367066 10.6477055 10.8253912 10.8691113 11.2957198 11.3385375 11.7223690 12.0187978 12.3537777 12.5484130 12.6440778 12.7856491 13.0617953 13.2119956 13.2245959 13.6342501 13.7380109 13.8076825 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034332 0.0034333 0.0034335 0.0034339 0.0034340 0.0034346 26.0743949 28.7817262 35.8104719 39.0981969 48.0673950 48.9736104 53.5755416 55.5394638 64.4707049 72.5892154 77.9824335 87.6208058 88.7501761 91.1293084 95.1434813 96.7128962 100.9496469 103.3040501 105.2983578 114.0677701 115.6094535 120.2133374 122.0354768 124.0686113 134.4262042 138.8106995 145.5203257 149.2255096 151.0381661 155.4207273 161.6787963 163.6917147 167.3415582 175.6397674 177.5382235 181.2371135 187.2880602 190.8162320 192.4721422 196.8608035 199.0761848 200.7019245 208.8845386 211.3015737 214.7547681 216.4215625 217.6207293 218.6404405 219.8581459 222.3617805 229.8454594 230.6059427 235.8807770 240.4806521 244.2292036 246.5494821 248.1393161 253.7233167 255.1818547 259.7436327 260.7497881 265.9210013 268.1766539 272.7851316 275.9743246 281.8923849 283.6471712 285.2078910 289.4544287 306.0466749 308.4025118 316.5166694 318.0827018 318.8601206 322.7280627 324.0805734 331.1888352 333.8533722 335.5716760 338.6928679 341.8022496 345.6377516 347.4364735 354.3425421 357.2868891 358.0076422 364.9658549 365.6569228 371.7945112 376.4660297 381.6762810 384.6712084 386.1347251 388.2904152 392.4611898 394.7112373 394.8994107 400.9691020 402.4919595 403.5112769 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 17744 Rtb_to_modes> Number of blocs = 200 Openam> file on opening on unit 10: diagrtb_work.eigenfacs Openam> file on opening on unit 11: matrix.eigenrtb Rdmodfacs> Entering in. Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Eigenvector number: 1 Rdmodfacs> Corresponding eigenvalue: 9.9955E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9962E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9976E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9995E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0003E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 5.7655E-02 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 7.0249E-02 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.1088 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.1296 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.1959 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.2034 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.2434 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.2616 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.3525 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.4468 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.5157 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.6511 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.6680 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.7042 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.7677 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 0.7932 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 0.8642 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 0.9050 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 0.9403 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 1.103 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 1.133 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 1.226 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 1.263 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 1.305 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 1.532 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 1.634 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 1.796 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 1.888 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 1.935 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 2.048 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 2.217 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 2.272 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 2.375 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 2.616 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 2.673 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 2.786 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 2.975 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 3.088 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 3.142 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 3.286 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 3.361 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 3.416 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 3.700 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 3.786 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 3.911 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 3.972 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 4.016 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 4.054 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 4.099 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 4.193 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 4.480 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 4.510 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 4.718 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 4.904 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 5.058 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 5.155 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 5.222 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 5.459 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 5.522 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 5.721 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 5.766 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 5.997 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 6.099 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 6.310 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 6.459 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 6.739 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 6.823 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 6.898 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 7.105 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 7.943 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 8.066 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 8.496 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 8.580 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 8.622 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 8.832 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 8.907 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 9.302 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 9.452 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 9.549 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 9.728 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 9.907 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 10.13 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 10.24 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 10.65 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 10.83 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 10.87 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 11.30 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 11.34 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 11.72 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 12.02 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 12.35 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 12.55 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 12.64 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 12.79 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 13.06 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 13.21 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 13.22 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 13.63 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 13.74 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 13.81 Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99999 1.00000 1.00000 1.00000 1.00000 1.00000 0.99998 1.00003 0.99999 1.00000 0.99999 1.00001 0.99999 0.99998 1.00000 1.00002 1.00001 1.00001 1.00001 1.00000 1.00001 1.00001 1.00001 0.99999 1.00000 0.99998 1.00001 1.00001 0.99998 1.00001 0.99997 1.00000 0.99998 1.00003 1.00001 0.99999 0.99998 1.00001 1.00000 0.99997 0.99999 0.99999 1.00002 1.00000 0.99997 0.99999 1.00002 1.00000 1.00001 1.00000 0.99999 0.99999 1.00002 1.00001 1.00000 0.99998 0.99999 0.99999 0.99999 0.99998 1.00001 1.00000 1.00000 1.00002 1.00000 1.00000 1.00000 0.99999 1.00000 1.00000 0.99999 0.99998 0.99998 1.00001 1.00000 1.00001 1.00002 0.99997 1.00001 1.00001 1.00001 0.99999 1.00000 0.99999 0.99998 1.00003 1.00000 1.00002 1.00000 0.99999 1.00001 1.00004 1.00001 1.00001 0.99997 1.00002 0.99998 0.99998 0.99999 1.00000 1.00000 1.00001 1.00001 1.00002 1.00000 1.00000 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 319392 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99999 1.00000 1.00000 1.00000 1.00000 1.00000 0.99998 1.00003 0.99999 1.00000 0.99999 1.00001 0.99999 0.99998 1.00000 1.00002 1.00001 1.00001 1.00001 1.00000 1.00001 1.00001 1.00001 0.99999 1.00000 0.99998 1.00001 1.00001 0.99998 1.00001 0.99997 1.00000 0.99998 1.00003 1.00001 0.99999 0.99998 1.00001 1.00000 0.99997 0.99999 0.99999 1.00002 1.00000 0.99997 0.99999 1.00002 1.00000 1.00001 1.00000 0.99999 0.99999 1.00002 1.00001 1.00000 0.99998 0.99999 0.99999 0.99999 0.99998 1.00001 1.00000 1.00000 1.00002 1.00000 1.00000 1.00000 0.99999 1.00000 1.00000 0.99999 0.99998 0.99998 1.00001 1.00000 1.00001 1.00002 0.99997 1.00001 1.00001 1.00001 0.99999 1.00000 0.99999 0.99998 1.00003 1.00000 1.00002 1.00000 0.99999 1.00001 1.00004 1.00001 1.00001 0.99997 1.00002 0.99998 0.99998 0.99999 1.00000 1.00000 1.00001 1.00001 1.00002 1.00000 1.00000 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3: 0.000 0.000 Vector 4:-0.000-0.000-0.000 Vector 5:-0.000-0.000 0.000-0.000 Vector 6: 0.000 0.000 0.000-0.000-0.000 Vector 7:-0.000-0.000 0.000-0.000-0.000 0.000 Vector 8: 0.000 0.000-0.000 0.000 0.000 0.000 0.000 Vector 9:-0.000-0.000-0.000-0.000 0.000-0.000-0.000-0.000 Vector 10:-0.000 0.000-0.000 0.000-0.000 0.000-0.000-0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2406101858502122271.eigenfacs Openam> file on opening on unit 10: 2406101858502122271.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2406101858502122271.atom Openam> file on opening on unit 11: 2406101858502122271.atom Getnum> Number of skipped eigenvectors ? Getnum> 0 Getnum> Number of usefull eigenvectors ? Getnum> 10000 %Getnum-Err: number larger than 106 This is not allowed. Sorry. Rdatompdb> Reading pdb file. Rdatompdb> End of file reached. Rdatompdb> Number of I/O errors: 0 Rdatompdb> Number of residues found = 2180 First residue number = 1 Last residue number = 545 Number of atoms found = 17744 Mean number per residue = 8.1 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 5.7655E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 7.0249E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1088 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1296 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1959 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2034 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2434 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2616 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3525 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4468 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5157 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6511 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6680 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7042 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7677 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7932 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8642 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9050 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9403 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 1.103 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 1.133 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 1.226 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 1.263 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 1.305 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 1.532 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 1.634 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 1.796 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 1.888 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 1.935 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 2.048 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 2.217 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 2.272 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 2.375 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 2.616 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 2.673 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 2.786 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 2.975 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 3.088 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 3.142 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 3.286 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 3.361 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 3.416 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 3.700 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 3.786 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 3.911 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 3.972 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 4.016 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 4.054 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 4.099 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 4.193 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 4.480 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 4.510 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 4.718 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 4.904 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 5.058 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 5.155 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 5.222 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 5.459 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 5.522 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 5.721 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 5.766 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 5.997 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 6.099 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 6.310 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 6.459 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 6.739 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 6.823 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 6.898 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 7.105 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 7.943 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 8.066 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 8.496 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 8.580 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 8.622 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 8.832 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 8.907 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 9.302 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 9.452 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 9.549 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 9.728 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 9.907 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 10.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 10.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 10.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 10.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 10.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 11.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 11.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 11.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 12.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 12.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 12.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 12.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 12.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 13.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 13.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 13.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 13.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 13.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 13.81 Bfactors> 106 vectors, 53232 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 6 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 0.057655 Bfactors> 100 eigenvectors will be considered. Bfactors> Rotation-Tranlation modes are skipped. Bfactors> Mass-weighted B-factors are computed. (CHARMM units assumed for eigenvalues) Bfactors> Correlation= -0.161 for 2180 C-alpha atoms. Bfactors> = 0.090 +/- 0.12 Bfactors> = 80.451 +/- 11.72 Bfactors> Shiftng-fct= 80.361 Bfactors> Scaling-fct= 96.380 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2406101858502122271.eigenfacs Openam> file on opening on unit 10: 2406101858502122271.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4343E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 26.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 28.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 35.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 39.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 48.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 48.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 53.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 55.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 64.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 72.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 77.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 87.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 88.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 91.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 95.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 96.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 100.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 103.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 105.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 114.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 115.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 120.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 122.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 124.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 134.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 138.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 145.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 149.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 151.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 155.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 161.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 163.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 167.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 175.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 177.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 181.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 187.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 190.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 192.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 196.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 199.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 200.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 208.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 211.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 214.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 216.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 217.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 218.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 219.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 222.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 229.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 230.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 235.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 240.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 244.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 246.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 248.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 253.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 255.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 259.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 260.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 265.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 268.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 272.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 276.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 281.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 283.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 285.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 289.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 306.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 308.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 316.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 318.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 318.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 322.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 324.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 331.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 333.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 335.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 338.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 341.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 345.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 347.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 354.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 357.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 358.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 365.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 365.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 371.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 376.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 381.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 384.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 386.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 388.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 392.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 394.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 394.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 400.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 402.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 403.5 Chkmod> 106 vectors, 53232 coordinates in file. Chkmod> That is: 17744 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. Chkmod> Normal end. 0.0034 0.6616 0.0034 0.7923 0.0034 0.7961 0.0034 0.6672 0.0034 0.7086 0.0034 0.8899 26.0732 0.3293 28.7804 0.3260 35.8172 0.3917 39.0912 0.3424 48.0611 0.4395 48.9725 0.3368 53.5719 0.5500 55.5387 0.4660 64.4698 0.5341 72.5827 0.5166 77.9786 0.6007 87.6194 0.4088 88.7493 0.3848 91.1223 0.3369 95.1420 0.3182 96.7092 0.3761 100.9448 0.2231 103.3001 0.2032 105.2955 0.3716 114.0419 0.4784 115.5824 0.4191 120.2325 0.7279 122.0333 0.5261 124.0458 0.5414 134.4021 0.3426 138.8042 0.5446 145.5224 0.4281 149.2030 0.5269 151.0487 0.5666 155.3966 0.4078 161.6812 0.4029 163.6744 0.5587 167.3433 0.6310 175.6287 0.5312 177.5318 0.6589 181.2455 0.4981 187.2924 0.5016 190.8162 0.4357 192.4774 0.2053 196.8387 0.3795 199.0723 0.5051 200.6945 0.5286 208.8707 0.4323 211.2842 0.2567 214.7438 0.5236 216.4120 0.5473 217.6073 0.4464 218.6344 0.4355 219.8445 0.3861 222.3510 0.3100 229.8347 0.4453 230.6030 0.6274 235.8607 0.4883 240.4650 0.5679 244.2115 0.5981 246.5420 0.2170 248.1390 0.1753 253.7074 0.4453 255.1672 0.4648 259.7243 0.3658 260.7438 0.5057 265.9155 0.4567 268.1674 0.5350 272.7667 0.4175 275.9684 0.3382 281.8866 0.2556 283.6379 0.3102 285.1926 0.4021 289.4401 0.3117 306.0335 0.6019 308.3939 0.5241 316.5074 0.3951 318.0682 0.3860 318.8458 0.5233 322.7054 0.3944 324.0726 0.4929 331.1805 0.5452 333.8401 0.4416 335.5487 0.3891 338.6791 0.4022 341.7808 0.4947 345.6061 0.4916 347.4774 0.4309 354.3655 0.3395 357.3476 0.4845 358.0069 0.4344 365.0193 0.1363 365.6648 0.2319 371.7410 0.2408 376.4687 0.3754 381.6015 0.2658 384.6790 0.3327 386.0559 0.3087 388.3398 0.2574 392.4174 0.3967 394.6645 0.2727 394.8138 0.4316 400.8894 0.4957 402.5038 0.2973 403.5278 0.1993 getting mode 7 running: ../../bin/get_modes.sh 2406101858502122271 7 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.7.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.7.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.7.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2406101858502122271 8 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.8.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.8.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.8.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2406101858502122271 9 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.9.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.9.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.9.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2406101858502122271 10 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.10.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.10.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.10.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2406101858502122271 11 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.11.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.11.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.11.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2406101858502122271 12 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.12.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.12.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.12.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2406101858502122271 13 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.13.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.13.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.13.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2406101858502122271 14 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.14.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.14.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.14.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2406101858502122271 15 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.15.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.15.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.15.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2406101858502122271 16 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.16.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.16.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.16.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 2406101858502122271 17 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.17.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.17.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.17.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 2406101858502122271 18 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.18.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.18.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.18.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 2406101858502122271 19 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.19.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.19.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.19.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 2406101858502122271 20 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.20.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.20.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.20.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 2406101858502122271 21 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.21.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.21.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.21.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 2406101858502122271 22 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.22.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.22.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.22.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 2406101858502122271 23 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.23.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.23.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.23.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 2406101858502122271 24 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.24.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.24.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.24.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 2406101858502122271 25 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.25.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.25.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.25.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 2406101858502122271 26 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.26.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.26.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.26.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 2406101858502122271 27 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.27.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.27.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.27.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 2406101858502122271 28 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.28.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.28.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.28.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 2406101858502122271 29 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.29.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.29.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.29.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 2406101858502122271 30 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.30.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.30.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.30.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 2406101858502122271 31 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-200 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=-20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=0 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=20 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=40 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=60 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=80 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=100 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=120 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=140 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=160 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=180 2406101858502122271.eigenfacs 2406101858502122271.atom calculating perturbed structure for DQ=200 2406101858502122271.eigenfacs 2406101858502122271.atom making animated gifs 21 models are in 2406101858502122271.31.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.31.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 2406101858502122271.31.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2406101858502122271.10.pdb 2406101858502122271.11.pdb 2406101858502122271.12.pdb 2406101858502122271.13.pdb 2406101858502122271.14.pdb 2406101858502122271.15.pdb 2406101858502122271.16.pdb 2406101858502122271.17.pdb 2406101858502122271.18.pdb 2406101858502122271.19.pdb 2406101858502122271.20.pdb 2406101858502122271.21.pdb 2406101858502122271.22.pdb 2406101858502122271.23.pdb 2406101858502122271.24.pdb 2406101858502122271.25.pdb 2406101858502122271.26.pdb 2406101858502122271.27.pdb 2406101858502122271.28.pdb 2406101858502122271.29.pdb 2406101858502122271.30.pdb 2406101858502122271.31.pdb 2406101858502122271.7.pdb 2406101858502122271.8.pdb 2406101858502122271.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 2m7.426s user 2m7.139s sys 0m0.272s rm: cannot remove '2406101858502122271.sdijf': No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw 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pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format 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Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format




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Last modification: April 25th, 2023.