CNRS Nantes University UFIP UFIP
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***  Model 4A  ***

LOGs for ID: 21020920311728206

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 = 21020920311728206.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 21020920311728206.atom to be opened. Openam> File opened: 21020920311728206.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 = 1699 First residue number = 13 Last residue number = 2 Number of atoms found = 13824 Mean number per residue = 8.1 Pdbmat> Coordinate statistics: = 133.990873 +/- 16.652088 From: 91.682000 To: 170.618000 = 135.741536 +/- 16.711714 From: 96.872000 To: 178.438000 = 127.603150 +/- 30.211537 From: 73.250000 To: 196.947000 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 0.6243 % Filled. Pdbmat> 5369077 non-zero elements. Pdbmat> 587447 atom-atom interactions. Pdbmat> Number per atom= 84.99 +/- 20.37 Maximum number = 132 Minimum number = 8 Pdbmat> Matrix trace = 1.174894E+07 Pdbmat> Larger element = 494.750 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1699 non-zero elements, NRBL set to 9 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 = 21020920311728206.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 9 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 21020920311728206.atom to be opened. Openam> file on opening on unit 11: 21020920311728206.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 13824 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 9 residue(s) per block. Blocpdb> 1699 residues. Blocpdb> 78 atoms in block 1 Block first atom: 1 Blocpdb> 75 atoms in block 2 Block first atom: 79 Blocpdb> 68 atoms in block 3 Block first atom: 154 Blocpdb> 73 atoms in block 4 Block first atom: 222 Blocpdb> 67 atoms in block 5 Block first atom: 295 Blocpdb> 81 atoms in block 6 Block first atom: 362 Blocpdb> 85 atoms in block 7 Block first atom: 443 Blocpdb> 70 atoms in block 8 Block first atom: 528 Blocpdb> 71 atoms in block 9 Block first atom: 598 Blocpdb> 83 atoms in block 10 Block first atom: 669 Blocpdb> 66 atoms in block 11 Block first atom: 752 Blocpdb> 74 atoms in block 12 Block first atom: 818 Blocpdb> 71 atoms in block 13 Block first atom: 892 Blocpdb> 73 atoms in block 14 Block first atom: 963 Blocpdb> 74 atoms in block 15 Block first atom: 1036 Blocpdb> 66 atoms in block 16 Block first atom: 1110 Blocpdb> 73 atoms in block 17 Block first atom: 1176 Blocpdb> 85 atoms in block 18 Block first atom: 1249 Blocpdb> 64 atoms in block 19 Block first atom: 1334 Blocpdb> 74 atoms in block 20 Block first atom: 1398 Blocpdb> 61 atoms in block 21 Block first atom: 1472 Blocpdb> 68 atoms in block 22 Block first atom: 1533 Blocpdb> 75 atoms in block 23 Block first atom: 1601 Blocpdb> 79 atoms in block 24 Block first atom: 1676 Blocpdb> 72 atoms in block 25 Block first atom: 1755 Blocpdb> 76 atoms in block 26 Block first atom: 1827 Blocpdb> 72 atoms in block 27 Block first atom: 1903 Blocpdb> 65 atoms in block 28 Block first atom: 1975 Blocpdb> 62 atoms in block 29 Block first atom: 2040 Blocpdb> 73 atoms in block 30 Block first atom: 2102 Blocpdb> 71 atoms in block 31 Block first atom: 2175 Blocpdb> 70 atoms in block 32 Block first atom: 2246 Blocpdb> 75 atoms in block 33 Block first atom: 2316 Blocpdb> 81 atoms in block 34 Block first atom: 2391 Blocpdb> 19 atoms in block 35 Block first atom: 2472 Blocpdb> 71 atoms in block 36 Block first atom: 2491 Blocpdb> 75 atoms in block 37 Block first atom: 2562 Blocpdb> 73 atoms in block 38 Block first atom: 2637 Blocpdb> 77 atoms in block 39 Block first atom: 2710 Blocpdb> 72 atoms in block 40 Block first atom: 2787 Blocpdb> 74 atoms in block 41 Block first atom: 2859 Blocpdb> 71 atoms in block 42 Block first atom: 2933 Blocpdb> 63 atoms in block 43 Block first atom: 3004 Blocpdb> 65 atoms in block 44 Block first atom: 3067 Blocpdb> 73 atoms in block 45 Block first atom: 3132 Blocpdb> 95 atoms in block 46 Block first atom: 3205 Blocpdb> 69 atoms in block 47 Block first atom: 3300 Blocpdb> 70 atoms in block 48 Block first atom: 3369 Blocpdb> 80 atoms in block 49 Block first atom: 3439 Blocpdb> 77 atoms in block 50 Block first atom: 3519 Blocpdb> 71 atoms in block 51 Block first atom: 3596 Blocpdb> 70 atoms in block 52 Block first atom: 3667 Blocpdb> 72 atoms in block 53 Block first atom: 3737 Blocpdb> 70 atoms in block 54 Block first atom: 3809 Blocpdb> 74 atoms in block 55 Block first atom: 3879 Blocpdb> 75 atoms in block 56 Block first atom: 3953 Blocpdb> 88 atoms in block 57 Block first atom: 4028 Blocpdb> 55 atoms in block 58 Block first atom: 4116 Blocpdb> 78 atoms in block 59 Block first atom: 4171 Blocpdb> 77 atoms in block 60 Block first atom: 4249 Blocpdb> 66 atoms in block 61 Block first atom: 4326 Blocpdb> 76 atoms in block 62 Block first atom: 4392 Blocpdb> 79 atoms in block 63 Block first atom: 4468 Blocpdb> 73 atoms in block 64 Block first atom: 4547 Blocpdb> 81 atoms in block 65 Block first atom: 4620 Blocpdb> 68 atoms in block 66 Block first atom: 4701 Blocpdb> 61 atoms in block 67 Block first atom: 4769 Blocpdb> 70 atoms in block 68 Block first atom: 4830 Blocpdb> 78 atoms in block 69 Block first atom: 4900 Blocpdb> 73 atoms in block 70 Block first atom: 4978 Blocpdb> 70 atoms in block 71 Block first atom: 5051 Blocpdb> 80 atoms in block 72 Block first atom: 5121 Blocpdb> 76 atoms in block 73 Block first atom: 5201 Blocpdb> 76 atoms in block 74 Block first atom: 5277 Blocpdb> 79 atoms in block 75 Block first atom: 5353 Blocpdb> 82 atoms in block 76 Block first atom: 5432 Blocpdb> 31 atoms in block 77 Block first atom: 5514 Blocpdb> 69 atoms in block 78 Block first atom: 5545 Blocpdb> 77 atoms in block 79 Block first atom: 5614 Blocpdb> 65 atoms in block 80 Block first atom: 5691 Blocpdb> 74 atoms in block 81 Block first atom: 5756 Blocpdb> 63 atoms in block 82 Block first atom: 5830 Blocpdb> 79 atoms in block 83 Block first atom: 5893 Blocpdb> 89 atoms in block 84 Block first atom: 5972 Blocpdb> 75 atoms in block 85 Block first atom: 6061 Blocpdb> 66 atoms in block 86 Block first atom: 6136 Blocpdb> 85 atoms in block 87 Block first atom: 6202 Blocpdb> 74 atoms in block 88 Block first atom: 6287 Blocpdb> 75 atoms in block 89 Block first atom: 6361 Blocpdb> 79 atoms in block 90 Block first atom: 6436 Blocpdb> 70 atoms in block 91 Block first atom: 6515 Blocpdb> 78 atoms in block 92 Block first atom: 6585 Blocpdb> 74 atoms in block 93 Block first atom: 6663 Blocpdb> 76 atoms in block 94 Block first atom: 6737 Blocpdb> 82 atoms in block 95 Block first atom: 6813 Blocpdb> 73 atoms in block 96 Block first atom: 6895 Blocpdb> 79 atoms in block 97 Block first atom: 6968 Blocpdb> 73 atoms in block 98 Block first atom: 7047 Blocpdb> 66 atoms in block 99 Block first atom: 7120 Blocpdb> 80 atoms in block 100 Block first atom: 7186 Blocpdb> 78 atoms in block 101 Block first atom: 7266 Blocpdb> 66 atoms in block 102 Block first atom: 7344 Blocpdb> 83 atoms in block 103 Block first atom: 7410 Blocpdb> 64 atoms in block 104 Block first atom: 7493 Blocpdb> 63 atoms in block 105 Block first atom: 7557 Blocpdb> 67 atoms in block 106 Block first atom: 7620 Blocpdb> 68 atoms in block 107 Block first atom: 7687 Blocpdb> 72 atoms in block 108 Block first atom: 7755 Blocpdb> 72 atoms in block 109 Block first atom: 7827 Blocpdb> 77 atoms in block 110 Block first atom: 7899 Blocpdb> 19 atoms in block 111 Block first atom: 7976 Blocpdb> 72 atoms in block 112 Block first atom: 7995 Blocpdb> 77 atoms in block 113 Block first atom: 8067 Blocpdb> 81 atoms in block 114 Block first atom: 8144 Blocpdb> 40 atoms in block 115 Block first atom: 8225 Blocpdb> 78 atoms in block 116 Block first atom: 8265 Blocpdb> 75 atoms in block 117 Block first atom: 8343 Blocpdb> 68 atoms in block 118 Block first atom: 8418 Blocpdb> 73 atoms in block 119 Block first atom: 8486 Blocpdb> 67 atoms in block 120 Block first atom: 8559 Blocpdb> 81 atoms in block 121 Block first atom: 8626 Blocpdb> 85 atoms in block 122 Block first atom: 8707 Blocpdb> 70 atoms in block 123 Block first atom: 8792 Blocpdb> 71 atoms in block 124 Block first atom: 8862 Blocpdb> 83 atoms in block 125 Block first atom: 8933 Blocpdb> 66 atoms in block 126 Block first atom: 9016 Blocpdb> 74 atoms in block 127 Block first atom: 9082 Blocpdb> 71 atoms in block 128 Block first atom: 9156 Blocpdb> 73 atoms in block 129 Block first atom: 9227 Blocpdb> 74 atoms in block 130 Block first atom: 9300 Blocpdb> 66 atoms in block 131 Block first atom: 9374 Blocpdb> 73 atoms in block 132 Block first atom: 9440 Blocpdb> 85 atoms in block 133 Block first atom: 9513 Blocpdb> 64 atoms in block 134 Block first atom: 9598 Blocpdb> 74 atoms in block 135 Block first atom: 9662 Blocpdb> 61 atoms in block 136 Block first atom: 9736 Blocpdb> 68 atoms in block 137 Block first atom: 9797 Blocpdb> 75 atoms in block 138 Block first atom: 9865 Blocpdb> 79 atoms in block 139 Block first atom: 9940 Blocpdb> 72 atoms in block 140 Block first atom: 10019 Blocpdb> 76 atoms in block 141 Block first atom: 10091 Blocpdb> 72 atoms in block 142 Block first atom: 10167 Blocpdb> 65 atoms in block 143 Block first atom: 10239 Blocpdb> 62 atoms in block 144 Block first atom: 10304 Blocpdb> 73 atoms in block 145 Block first atom: 10366 Blocpdb> 71 atoms in block 146 Block first atom: 10439 Blocpdb> 70 atoms in block 147 Block first atom: 10510 Blocpdb> 75 atoms in block 148 Block first atom: 10580 Blocpdb> 81 atoms in block 149 Block first atom: 10655 Blocpdb> 13 atoms in block 150 Block first atom: 10736 Blocpdb> 71 atoms in block 151 Block first atom: 10749 Blocpdb> 75 atoms in block 152 Block first atom: 10820 Blocpdb> 73 atoms in block 153 Block first atom: 10895 Blocpdb> 77 atoms in block 154 Block first atom: 10968 Blocpdb> 72 atoms in block 155 Block first atom: 11045 Blocpdb> 74 atoms in block 156 Block first atom: 11117 Blocpdb> 71 atoms in block 157 Block first atom: 11191 Blocpdb> 63 atoms in block 158 Block first atom: 11262 Blocpdb> 65 atoms in block 159 Block first atom: 11325 Blocpdb> 73 atoms in block 160 Block first atom: 11390 Blocpdb> 95 atoms in block 161 Block first atom: 11463 Blocpdb> 69 atoms in block 162 Block first atom: 11558 Blocpdb> 70 atoms in block 163 Block first atom: 11627 Blocpdb> 80 atoms in block 164 Block first atom: 11697 Blocpdb> 77 atoms in block 165 Block first atom: 11777 Blocpdb> 71 atoms in block 166 Block first atom: 11854 Blocpdb> 70 atoms in block 167 Block first atom: 11925 Blocpdb> 72 atoms in block 168 Block first atom: 11995 Blocpdb> 70 atoms in block 169 Block first atom: 12067 Blocpdb> 74 atoms in block 170 Block first atom: 12137 Blocpdb> 75 atoms in block 171 Block first atom: 12211 Blocpdb> 88 atoms in block 172 Block first atom: 12286 Blocpdb> 55 atoms in block 173 Block first atom: 12374 Blocpdb> 78 atoms in block 174 Block first atom: 12429 Blocpdb> 77 atoms in block 175 Block first atom: 12507 Blocpdb> 66 atoms in block 176 Block first atom: 12584 Blocpdb> 76 atoms in block 177 Block first atom: 12650 Blocpdb> 79 atoms in block 178 Block first atom: 12726 Blocpdb> 73 atoms in block 179 Block first atom: 12805 Blocpdb> 81 atoms in block 180 Block first atom: 12878 Blocpdb> 68 atoms in block 181 Block first atom: 12959 Blocpdb> 61 atoms in block 182 Block first atom: 13027 Blocpdb> 70 atoms in block 183 Block first atom: 13088 Blocpdb> 78 atoms in block 184 Block first atom: 13158 Blocpdb> 73 atoms in block 185 Block first atom: 13236 Blocpdb> 70 atoms in block 186 Block first atom: 13309 Blocpdb> 80 atoms in block 187 Block first atom: 13379 Blocpdb> 65 atoms in block 188 Block first atom: 13459 Blocpdb> 75 atoms in block 189 Block first atom: 13524 Blocpdb> 79 atoms in block 190 Block first atom: 13599 Blocpdb> 88 atoms in block 191 Block first atom: 13678 Blocpdb> 19 atoms in block 192 Block first atom: 13766 Blocpdb> 4 atoms in block 193 Block first atom: 13785 %Blocpdb-Wn> 2 atoms in block 194 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 13790th, in residue G 3 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 10 atoms in block 194 Block first atom: 13789 Blocpdb> 6 atoms in block 195 Block first atom: 13799 Blocpdb> 4 atoms in block 196 Block first atom: 13805 %Blocpdb-Wn> 2 atoms in block 197 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 13810th, in residue H 3 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 10 atoms in block 197 Block first atom: 13809 Blocpdb> 6 atoms in block 198 Block first atom: 13818 Blocpdb> 198 blocks. Blocpdb> At most, 95 atoms in each of them. Blocpdb> At least, 4 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> 5369275 matrix lines read. Prepmat> Matrix order = 41472 Prepmat> Matrix trace = 11748940.0000 Prepmat> Last element read: 41472 41472 302.7452 Prepmat> 19702 lines saved. Prepmat> 17964 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: 13824 RTB> Total mass = 13824.0000 RTB> Number of atoms found in matrix: 13824 RTB> Number of blocks = 198 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 210216.6159 RTB> 59562 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 = 1188 Diagstd> Nb of non-zero elements: 59562 Diagstd> Projected matrix trace = 210216.6159 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1188 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 210216.6159 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 1.4907068 2.3098593 2.4165352 3.2612084 3.3642792 4.2241086 4.6103006 5.1132131 5.2640853 5.3971314 5.5469145 5.7425745 6.5453087 7.7118307 7.8065859 8.3336802 8.6294648 8.8340405 9.0947203 9.4829555 10.0067238 10.1738615 10.3645258 10.6353308 10.8661719 11.1920523 11.6169134 11.7052108 12.1119143 12.3347958 12.6070573 12.9490050 13.3842005 14.0835912 14.4483750 14.8790911 15.4010408 15.4814067 15.7898252 16.0573850 17.2466356 17.4680452 17.7538638 17.9334840 18.4795993 18.7422948 18.9182658 19.2977616 19.6840814 19.9861594 20.8818858 21.1528275 21.3149760 21.7427402 21.9845916 22.3476658 22.7661101 23.0781745 23.7505176 23.9093102 24.1521918 24.5129786 25.0383420 26.0418516 26.2797136 26.4502122 26.8015799 27.0452362 27.7062199 27.8839685 28.6698655 29.0722537 29.3447846 30.1496650 30.4569287 30.7534635 30.8238467 31.2181693 31.5917755 32.0494395 32.0830901 32.7803569 33.1501822 33.9487299 34.3523329 34.4754644 34.7655827 34.8677629 35.2178801 35.8311467 36.0502973 36.3927583 36.6411223 36.9032941 37.4399931 38.0878797 38.2990098 38.5541421 39.0801996 39.3113799 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034333 0.0034340 0.0034341 0.0034341 0.0034346 0.0034356 132.5840873 165.0395545 168.8075409 196.1031444 199.1779665 223.1838778 233.1631425 245.5512935 249.1476182 252.2764885 255.7531657 260.2247498 277.8179793 301.5602004 303.4071791 313.4827836 318.9974499 322.7564819 327.4838995 334.4006691 343.5114644 346.3683413 349.5988531 354.1365734 357.9592300 363.2872422 370.1183832 371.5223119 377.9215662 381.3829393 385.5690312 390.7630394 397.2752394 407.5228695 412.7668225 418.8740755 426.1576762 427.2681200 431.5031218 435.1436898 450.9698154 453.8553233 457.5533314 459.8620965 466.8115089 470.1177644 472.3195712 477.0333575 481.7845358 485.4672679 496.2267120 499.4355981 501.3461734 506.3518701 509.1602388 513.3473975 518.1311422 521.6701738 529.2146029 530.9807832 533.6709401 537.6421674 543.3730119 554.1549410 556.6799684 558.4828749 562.1801121 564.7297537 571.5890740 573.4196511 581.4442871 585.5104220 588.2483844 596.2611670 599.2917971 602.2021440 602.8908578 606.7349272 610.3547060 614.7598550 615.0825066 621.7304233 625.2277426 632.7134196 636.4633470 637.6029871 640.2801485 641.2203873 644.4316854 650.0183755 652.0031675 655.0927100 657.3242640 659.6716914 664.4513073 670.1757027 672.0306073 674.2652877 678.8497574 680.8546760 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 13824 Rtb_to_modes> Number of blocs = 198 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: 9.9959E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 1.0001E-09 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0001E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0004E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0009E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 1.491 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 2.310 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 2.417 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 3.261 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 3.364 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 4.224 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 4.610 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 5.113 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 5.264 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 5.397 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 5.547 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 5.743 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 6.545 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 7.712 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 7.807 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 8.334 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 8.629 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 8.834 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 9.095 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 9.483 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 10.01 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 10.17 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 10.36 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 10.64 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 10.87 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 11.19 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 11.62 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 11.71 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 12.11 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 12.33 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 12.61 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 12.95 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 13.38 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 14.08 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 14.45 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 14.88 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 15.40 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 15.48 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 15.79 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 16.06 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 17.25 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 17.47 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 17.75 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 17.93 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 18.48 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 18.74 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 18.92 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 19.30 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 19.68 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 19.99 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 20.88 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 21.15 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 21.31 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 21.74 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 21.98 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 22.35 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 22.77 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 23.08 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 23.75 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 23.91 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 24.15 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 24.51 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 25.04 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 26.04 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 26.28 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 26.45 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 26.80 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 27.05 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 27.71 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 27.88 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 28.67 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 29.07 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 29.34 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 30.15 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 30.46 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 30.75 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 30.82 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 31.22 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 31.59 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 32.05 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 32.08 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 32.78 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 33.15 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 33.95 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 34.35 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 34.48 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 34.77 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 34.87 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 35.22 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 35.83 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 36.05 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 36.39 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 36.64 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 36.90 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 37.44 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 38.09 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 38.30 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 38.55 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 39.08 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 39.31 Rtb_to_modes> 106 vectors, with 1188 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99998 1.00000 0.99999 1.00000 1.00000 1.00001 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00000 0.99998 1.00001 1.00001 1.00001 1.00000 1.00001 1.00001 1.00001 0.99998 0.99999 0.99998 1.00002 1.00000 0.99998 1.00001 1.00001 1.00000 1.00000 0.99997 1.00000 1.00000 0.99999 1.00001 1.00000 1.00001 0.99999 1.00000 0.99999 1.00001 1.00001 1.00000 1.00000 0.99999 1.00001 1.00001 1.00001 1.00000 1.00001 1.00000 0.99999 1.00000 1.00000 0.99999 1.00001 1.00000 0.99999 0.99998 1.00000 1.00000 0.99999 1.00000 1.00001 0.99998 0.99999 0.99999 0.99999 1.00001 0.99999 1.00000 0.99999 0.99999 1.00000 0.99999 0.99999 1.00000 1.00000 0.99999 1.00001 0.99999 1.00001 0.99997 0.99999 1.00000 1.00000 0.99998 1.00002 0.99999 1.00001 1.00001 1.00001 0.99999 1.00003 1.00002 0.99999 0.99999 1.00002 1.00001 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 248832 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99998 1.00000 0.99999 1.00000 1.00000 1.00001 1.00000 1.00000 1.00000 1.00000 1.00000 1.00001 1.00000 0.99998 1.00001 1.00001 1.00001 1.00000 1.00001 1.00001 1.00001 0.99998 0.99999 0.99998 1.00002 1.00000 0.99998 1.00001 1.00001 1.00000 1.00000 0.99997 1.00000 1.00000 0.99999 1.00001 1.00000 1.00001 0.99999 1.00000 0.99999 1.00001 1.00001 1.00000 1.00000 0.99999 1.00001 1.00001 1.00001 1.00000 1.00001 1.00000 0.99999 1.00000 1.00000 0.99999 1.00001 1.00000 0.99999 0.99998 1.00000 1.00000 0.99999 1.00000 1.00001 0.99998 0.99999 0.99999 0.99999 1.00001 0.99999 1.00000 0.99999 0.99999 1.00000 0.99999 0.99999 1.00000 1.00000 0.99999 1.00001 0.99999 1.00001 0.99997 0.99999 1.00000 1.00000 0.99998 1.00002 0.99999 1.00001 1.00001 1.00001 0.99999 1.00003 1.00002 0.99999 0.99999 1.00002 1.00001 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> 21020920311728206.eigenfacs Openam> file on opening on unit 10: 21020920311728206.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 21020920311728206.atom Openam> file on opening on unit 11: 21020920311728206.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 = 1699 First residue number = 13 Last residue number = 2 Number of atoms found = 13824 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: 9.9959E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 1.491 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 2.310 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 2.417 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 3.261 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 3.364 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 4.224 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 4.610 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 5.113 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 5.264 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 5.397 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 5.547 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 5.743 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 6.545 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 7.712 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 7.807 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 8.334 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 8.629 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 8.834 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 9.095 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 9.483 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 10.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 10.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 10.36 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 10.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 10.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 11.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 11.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 11.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 12.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 12.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 12.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 12.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 13.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 14.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 14.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 14.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 15.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 15.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 15.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 16.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 17.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 17.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 17.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 17.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 18.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 18.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 18.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 19.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 19.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 19.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 20.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 21.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 21.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 21.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 21.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 22.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 22.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 23.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 23.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 23.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 24.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 24.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 25.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 26.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 26.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 26.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 26.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 27.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 27.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 27.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 28.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 29.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 29.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 30.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 30.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 30.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 30.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 31.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 31.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 32.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 32.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 32.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 33.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 33.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 34.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 34.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 34.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 34.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 35.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 35.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 36.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 36.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 36.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 36.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 37.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 38.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 38.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 38.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 39.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 39.31 Bfactors> 106 vectors, 41472 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 : 1.491000 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= 0.490 for 1695 C-alpha atoms. Bfactors> = 0.009 +/- 0.01 Bfactors> = 83.886 +/- 21.69 Bfactors> Shiftng-fct= 83.877 Bfactors> Scaling-fct= 2869.205 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 21020920311728206.eigenfacs Openam> file on opening on unit 10: 21020920311728206.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4331E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4345E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 132.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 165.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 168.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 196.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 199.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 223.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 233.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 245.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 249.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 252.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 255.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 260.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 277.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 301.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 303.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 313.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 319.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 322.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 327.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 334.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 343.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 346.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 349.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 354.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 358.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 363.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 370.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 371.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 377.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 381.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 385.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 390.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 397.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 407.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 412.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 418.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 426.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 427.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 431.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 435.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 451.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 453.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 457.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 459.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 466.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 470.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 472.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 477.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 481.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 485.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 496.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 499.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 501.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 506.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 509.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 513.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 518.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 521.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 529.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 531.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 533.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 537.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 543.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 554.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 556.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 558.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 562.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 564.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 571.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 573.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 581.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 585.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 588.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 596.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 599.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 602.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 602.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 606.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 610.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 614.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 615.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 621.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 625.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 632.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 636.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 637.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 640.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 641.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 644.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 650.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 652.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 655.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 657.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 659.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 664.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 670.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 672.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 674.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 678.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 680.8 Chkmod> 106 vectors, 41472 coordinates in file. Chkmod> That is: 13824 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 0.9643 0.0034 0.8585 0.0034 0.8185 0.0034 0.9338 0.0034 0.8026 0.0034 0.8964 132.5914 0.5530 165.0375 0.6755 168.8165 0.6466 196.0885 0.4194 199.1612 0.4331 223.1714 0.7870 233.1455 0.8000 245.5356 0.2490 249.1349 0.4911 252.2626 0.8209 255.7442 0.7505 260.2232 0.4727 277.7995 0.4269 301.5506 0.2966 303.4022 0.3466 313.4753 0.3975 318.9752 0.4957 322.7419 0.4801 327.4749 0.3362 334.3871 0.4741 343.5529 0.4831 346.2877 0.3034 349.5075 0.4885 354.1991 0.5433 358.0069 0.5060 363.2383 0.5100 370.1517 0.5675 371.5824 0.6237 377.8755 0.5466 381.2924 0.5823 385.5975 0.6174 390.7613 0.5196 397.1958 0.4918 407.4534 0.4956 412.7723 0.2728 418.8689 0.3168 426.1250 0.4378 427.2304 0.5578 431.4870 0.4791 435.1604 0.3807 450.9944 0.5521 453.8612 0.6090 457.4839 0.4662 459.7977 0.4611 466.7965 0.2178 470.0688 0.5436 472.3209 0.4267 477.0405 0.4293 481.7139 0.3656 485.4931 0.3553 496.1830 0.5044 499.3808 0.2456 501.2661 0.4791 506.2982 0.5131 509.0852 0.4774 513.3522 0.4751 518.1532 0.3975 521.6684 0.2917 529.1861 0.4600 530.9656 0.4419 533.6238 0.5208 537.5864 0.5095 543.3677 0.4608 554.1115 0.2866 556.6591 0.4541 558.4567 0.3896 562.1394 0.4925 564.7552 0.5487 571.6035 0.4424 573.3542 0.4938 581.4207 0.5487 585.4626 0.4864 588.1752 0.4716 596.2389 0.4801 599.2963 0.5007 602.1424 0.4668 602.8274 0.3676 606.7267 0.3443 610.3114 0.4814 614.7388 0.4758 615.0265 0.3489 621.7003 0.4119 625.1992 0.4487 632.6981 0.2241 636.4144 0.4598 637.6176 0.4049 640.2933 0.4001 641.2134 0.2872 644.4234 0.2528 649.9801 0.4803 651.9725 0.1925 655.0398 0.3882 657.2860 0.4987 659.6139 0.4224 664.4228 0.2376 670.1656 0.4162 672.0104 0.4661 674.2001 0.4652 678.8189 0.4583 680.8135 0.4666 getting mode 7 running: ../../bin/get_modes.sh 21020920311728206 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 21020920311728206 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 21020920311728206 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 21020920311728206 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 21020920311728206 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.11.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.11.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.11.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 21020920311728206 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.12.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.12.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.12.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 21020920311728206 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.13.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.13.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.13.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 21020920311728206 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.14.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.14.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.14.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 21020920311728206 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.15.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.15.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.15.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 21020920311728206 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.16.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.16.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.16.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 21020920311728206 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.17.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.17.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.17.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 21020920311728206 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.18.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.18.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.18.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 21020920311728206 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.19.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.19.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.19.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 21020920311728206 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.20.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.20.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.20.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 21020920311728206 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.21.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.21.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.21.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 21020920311728206 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.22.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.22.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.22.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 21020920311728206 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.23.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.23.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.23.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 21020920311728206 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.24.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.24.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.24.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 21020920311728206 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.25.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.25.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.25.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 21020920311728206 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.26.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.26.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.26.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 21020920311728206 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.27.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.27.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.27.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 21020920311728206 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.28.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.28.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.28.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 21020920311728206 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.29.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.29.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.29.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 21020920311728206 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.30.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.30.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.30.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 21020920311728206 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=-20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=0 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=20 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=40 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=60 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=80 21020920311728206.eigenfacs 21020920311728206.atom calculating perturbed structure for DQ=100 21020920311728206.eigenfacs 21020920311728206.atom making animated gifs 11 models are in 21020920311728206.31.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.31.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 21020920311728206.31.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21020920311728206.10.pdb 21020920311728206.11.pdb 21020920311728206.12.pdb 21020920311728206.13.pdb 21020920311728206.14.pdb 21020920311728206.15.pdb 21020920311728206.16.pdb 21020920311728206.17.pdb 21020920311728206.18.pdb 21020920311728206.19.pdb 21020920311728206.20.pdb 21020920311728206.21.pdb 21020920311728206.22.pdb 21020920311728206.23.pdb 21020920311728206.24.pdb 21020920311728206.25.pdb 21020920311728206.26.pdb 21020920311728206.27.pdb 21020920311728206.28.pdb 21020920311728206.29.pdb 21020920311728206.30.pdb 21020920311728206.31.pdb 21020920311728206.7.pdb 21020920311728206.8.pdb 21020920311728206.9.pdb STDERR: real 1m13.858s user 1m13.544s sys 0m0.272s pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: 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Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file




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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.