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***  a2a  ***

LOGs for ID: 2212190634311610

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 = 2212190634311610.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 2212190634311610.atom to be opened. Openam> File opened: 2212190634311610.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 = 310 First residue number = 1 Last residue number = 310 Number of atoms found = 4915 Mean number per residue = 15.9 Pdbmat> Coordinate statistics: = 32.427174 +/- 16.882943 From: -5.193000 To: 74.033000 = 25.508293 +/- 10.298278 From: -1.976000 To: 55.897000 = 29.088584 +/- 10.416466 From: 4.969000 To: 56.858000 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 3.0503 % Filled. Pdbmat> 3316138 non-zero elements. Pdbmat> 365242 atom-atom interactions. Pdbmat> Number per atom= 148.62 +/- 48.60 Maximum number = 241 Minimum number = 17 Pdbmat> Matrix trace = 7.304840E+06 Pdbmat> Larger element = 866.685 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 310 non-zero elements, NRBL set to 2 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 = 2212190634311610.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 2 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 2212190634311610.atom to be opened. Openam> file on opening on unit 11: 2212190634311610.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 4915 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 2 residue(s) per block. Blocpdb> 310 residues. Blocpdb> 33 atoms in block 1 Block first atom: 1 Blocpdb> 36 atoms in block 2 Block first atom: 34 Blocpdb> 18 atoms in block 3 Block first atom: 70 Blocpdb> 27 atoms in block 4 Block first atom: 88 Blocpdb> 40 atoms in block 5 Block first atom: 115 Blocpdb> 30 atoms in block 6 Block first atom: 155 Blocpdb> 34 atoms in block 7 Block first atom: 185 Blocpdb> 29 atoms in block 8 Block first atom: 219 Blocpdb> 26 atoms in block 9 Block first atom: 248 Blocpdb> 29 atoms in block 10 Block first atom: 274 Blocpdb> 38 atoms in block 11 Block first atom: 303 Blocpdb> 21 atoms in block 12 Block first atom: 341 Blocpdb> 35 atoms in block 13 Block first atom: 362 Blocpdb> 27 atoms in block 14 Block first atom: 397 Blocpdb> 34 atoms in block 15 Block first atom: 424 Blocpdb> 40 atoms in block 16 Block first atom: 458 Blocpdb> 33 atoms in block 17 Block first atom: 498 Blocpdb> 25 atoms in block 18 Block first atom: 531 Blocpdb> 36 atoms in block 19 Block first atom: 556 Blocpdb> 30 atoms in block 20 Block first atom: 592 Blocpdb> 28 atoms in block 21 Block first atom: 622 Blocpdb> 41 atoms in block 22 Block first atom: 650 Blocpdb> 32 atoms in block 23 Block first atom: 691 Blocpdb> 30 atoms in block 24 Block first atom: 723 Blocpdb> 20 atoms in block 25 Block first atom: 753 Blocpdb> 22 atoms in block 26 Block first atom: 773 Blocpdb> 29 atoms in block 27 Block first atom: 795 Blocpdb> 23 atoms in block 28 Block first atom: 824 Blocpdb> 35 atoms in block 29 Block first atom: 847 Blocpdb> 29 atoms in block 30 Block first atom: 882 Blocpdb> 34 atoms in block 31 Block first atom: 911 Blocpdb> 29 atoms in block 32 Block first atom: 945 Blocpdb> 33 atoms in block 33 Block first atom: 974 Blocpdb> 25 atoms in block 34 Block first atom: 1007 Blocpdb> 27 atoms in block 35 Block first atom: 1032 Blocpdb> 20 atoms in block 36 Block first atom: 1059 Blocpdb> 20 atoms in block 37 Block first atom: 1079 Blocpdb> 24 atoms in block 38 Block first atom: 1099 Blocpdb> 29 atoms in block 39 Block first atom: 1123 Blocpdb> 39 atoms in block 40 Block first atom: 1152 Blocpdb> 21 atoms in block 41 Block first atom: 1191 Blocpdb> 36 atoms in block 42 Block first atom: 1212 Blocpdb> 35 atoms in block 43 Block first atom: 1248 Blocpdb> 33 atoms in block 44 Block first atom: 1283 Blocpdb> 28 atoms in block 45 Block first atom: 1316 Blocpdb> 30 atoms in block 46 Block first atom: 1344 Blocpdb> 31 atoms in block 47 Block first atom: 1374 Blocpdb> 38 atoms in block 48 Block first atom: 1405 Blocpdb> 29 atoms in block 49 Block first atom: 1443 Blocpdb> 29 atoms in block 50 Block first atom: 1472 Blocpdb> 36 atoms in block 51 Block first atom: 1501 Blocpdb> 40 atoms in block 52 Block first atom: 1537 Blocpdb> 29 atoms in block 53 Block first atom: 1577 Blocpdb> 43 atoms in block 54 Block first atom: 1606 Blocpdb> 33 atoms in block 55 Block first atom: 1649 Blocpdb> 45 atoms in block 56 Block first atom: 1682 Blocpdb> 21 atoms in block 57 Block first atom: 1727 Blocpdb> 35 atoms in block 58 Block first atom: 1748 Blocpdb> 21 atoms in block 59 Block first atom: 1783 Blocpdb> 38 atoms in block 60 Block first atom: 1804 Blocpdb> 32 atoms in block 61 Block first atom: 1842 Blocpdb> 26 atoms in block 62 Block first atom: 1874 Blocpdb> 29 atoms in block 63 Block first atom: 1900 Blocpdb> 30 atoms in block 64 Block first atom: 1929 Blocpdb> 40 atoms in block 65 Block first atom: 1959 Blocpdb> 30 atoms in block 66 Block first atom: 1999 Blocpdb> 30 atoms in block 67 Block first atom: 2029 Blocpdb> 26 atoms in block 68 Block first atom: 2059 Blocpdb> 33 atoms in block 69 Block first atom: 2085 Blocpdb> 31 atoms in block 70 Block first atom: 2118 Blocpdb> 26 atoms in block 71 Block first atom: 2149 Blocpdb> 38 atoms in block 72 Block first atom: 2175 Blocpdb> 24 atoms in block 73 Block first atom: 2213 Blocpdb> 24 atoms in block 74 Block first atom: 2237 Blocpdb> 36 atoms in block 75 Block first atom: 2261 Blocpdb> 22 atoms in block 76 Block first atom: 2297 Blocpdb> 36 atoms in block 77 Block first atom: 2319 Blocpdb> 28 atoms in block 78 Block first atom: 2355 Blocpdb> 24 atoms in block 79 Block first atom: 2383 Blocpdb> 17 atoms in block 80 Block first atom: 2407 Blocpdb> 22 atoms in block 81 Block first atom: 2424 Blocpdb> 33 atoms in block 82 Block first atom: 2446 Blocpdb> 20 atoms in block 83 Block first atom: 2479 Blocpdb> 39 atoms in block 84 Block first atom: 2499 Blocpdb> 27 atoms in block 85 Block first atom: 2538 Blocpdb> 32 atoms in block 86 Block first atom: 2565 Blocpdb> 31 atoms in block 87 Block first atom: 2597 Blocpdb> 35 atoms in block 88 Block first atom: 2628 Blocpdb> 33 atoms in block 89 Block first atom: 2663 Blocpdb> 41 atoms in block 90 Block first atom: 2696 Blocpdb> 34 atoms in block 91 Block first atom: 2737 Blocpdb> 30 atoms in block 92 Block first atom: 2771 Blocpdb> 27 atoms in block 93 Block first atom: 2801 Blocpdb> 35 atoms in block 94 Block first atom: 2828 Blocpdb> 33 atoms in block 95 Block first atom: 2863 Blocpdb> 38 atoms in block 96 Block first atom: 2896 Blocpdb> 36 atoms in block 97 Block first atom: 2934 Blocpdb> 23 atoms in block 98 Block first atom: 2970 Blocpdb> 40 atoms in block 99 Block first atom: 2993 Blocpdb> 43 atoms in block 100 Block first atom: 3033 Blocpdb> 39 atoms in block 101 Block first atom: 3076 Blocpdb> 20 atoms in block 102 Block first atom: 3115 Blocpdb> 48 atoms in block 103 Block first atom: 3135 Blocpdb> 36 atoms in block 104 Block first atom: 3183 Blocpdb> 39 atoms in block 105 Block first atom: 3219 Blocpdb> 32 atoms in block 106 Block first atom: 3258 Blocpdb> 28 atoms in block 107 Block first atom: 3290 Blocpdb> 33 atoms in block 108 Block first atom: 3318 Blocpdb> 21 atoms in block 109 Block first atom: 3351 Blocpdb> 39 atoms in block 110 Block first atom: 3372 Blocpdb> 34 atoms in block 111 Block first atom: 3411 Blocpdb> 25 atoms in block 112 Block first atom: 3445 Blocpdb> 36 atoms in block 113 Block first atom: 3470 Blocpdb> 37 atoms in block 114 Block first atom: 3506 Blocpdb> 33 atoms in block 115 Block first atom: 3543 Blocpdb> 20 atoms in block 116 Block first atom: 3576 Blocpdb> 33 atoms in block 117 Block first atom: 3596 Blocpdb> 29 atoms in block 118 Block first atom: 3629 Blocpdb> 38 atoms in block 119 Block first atom: 3658 Blocpdb> 23 atoms in block 120 Block first atom: 3696 Blocpdb> 39 atoms in block 121 Block first atom: 3719 Blocpdb> 29 atoms in block 122 Block first atom: 3758 Blocpdb> 35 atoms in block 123 Block first atom: 3787 Blocpdb> 33 atoms in block 124 Block first atom: 3822 Blocpdb> 36 atoms in block 125 Block first atom: 3855 Blocpdb> 38 atoms in block 126 Block first atom: 3891 Blocpdb> 25 atoms in block 127 Block first atom: 3929 Blocpdb> 34 atoms in block 128 Block first atom: 3954 Blocpdb> 40 atoms in block 129 Block first atom: 3988 Blocpdb> 24 atoms in block 130 Block first atom: 4028 Blocpdb> 22 atoms in block 131 Block first atom: 4052 Blocpdb> 28 atoms in block 132 Block first atom: 4074 Blocpdb> 24 atoms in block 133 Block first atom: 4102 Blocpdb> 43 atoms in block 134 Block first atom: 4126 Blocpdb> 36 atoms in block 135 Block first atom: 4169 Blocpdb> 40 atoms in block 136 Block first atom: 4205 Blocpdb> 29 atoms in block 137 Block first atom: 4245 Blocpdb> 35 atoms in block 138 Block first atom: 4274 Blocpdb> 28 atoms in block 139 Block first atom: 4309 Blocpdb> 28 atoms in block 140 Block first atom: 4337 Blocpdb> 27 atoms in block 141 Block first atom: 4365 Blocpdb> 30 atoms in block 142 Block first atom: 4392 Blocpdb> 34 atoms in block 143 Block first atom: 4422 Blocpdb> 40 atoms in block 144 Block first atom: 4456 Blocpdb> 31 atoms in block 145 Block first atom: 4496 Blocpdb> 43 atoms in block 146 Block first atom: 4527 Blocpdb> 39 atoms in block 147 Block first atom: 4570 Blocpdb> 44 atoms in block 148 Block first atom: 4609 Blocpdb> 31 atoms in block 149 Block first atom: 4653 Blocpdb> 44 atoms in block 150 Block first atom: 4684 Blocpdb> 41 atoms in block 151 Block first atom: 4728 Blocpdb> 43 atoms in block 152 Block first atom: 4769 Blocpdb> 28 atoms in block 153 Block first atom: 4812 Blocpdb> 35 atoms in block 154 Block first atom: 4840 Blocpdb> 41 atoms in block 155 Block first atom: 4874 Blocpdb> 155 blocks. Blocpdb> At most, 48 atoms in each of them. Blocpdb> At least, 17 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> 3316293 matrix lines read. Prepmat> Matrix order = 14745 Prepmat> Matrix trace = 7304840.0000 Prepmat> Last element read: 14745 14745 107.1595 Prepmat> 12091 lines saved. Prepmat> 10321 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: 4915 RTB> Total mass = 4915.0000 RTB> Number of atoms found in matrix: 4915 RTB> Number of blocks = 155 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 385036.3157 RTB> 61359 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 = 930 Diagstd> Nb of non-zero elements: 61359 Diagstd> Projected matrix trace = 385036.3157 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 930 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 385036.3157 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 1.7377431 2.5917809 2.8365988 3.6660597 3.8918726 4.0388447 5.1051896 5.8106697 6.5865072 7.3926161 7.8904176 8.8651946 9.3595495 10.0470450 11.1810186 12.3346395 12.4289916 13.1788515 14.7176444 16.4543742 17.7708656 17.9485561 19.5308951 20.9161226 21.5471946 23.2767273 24.2032281 25.4429088 26.9945857 28.4542872 29.0050615 29.7729781 31.9577721 32.7710393 33.2707027 33.7930057 35.2602519 35.8668981 36.9020511 38.3803753 40.6694326 41.0276482 43.2482470 44.0371643 46.3417123 46.4906221 48.0825639 49.6551463 51.1896293 52.1380223 53.5754039 54.3077737 54.7130979 57.1448832 58.6641113 59.2420254 62.5476120 63.8620472 64.8157037 65.5262374 66.5359775 67.6243169 68.4721167 69.0593555 70.4845024 70.9837233 71.6857111 72.6769706 73.5934794 74.8926751 75.0638990 76.3673808 77.0049903 77.7647051 79.2278100 80.8309953 83.5993442 83.9477718 85.0616742 86.5692442 87.7318318 89.4685212 90.8726167 91.9566809 93.9654632 94.4485156 95.4728769 96.9060140 97.8457201 98.3537753 99.7891657 101.4174456 101.7678111 102.6829751 103.3623590 103.5163530 104.8129467 106.1178697 108.3517761 108.8353561 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034308 0.0034340 0.0034342 0.0034343 0.0034352 0.0034374 143.1489189 174.8213315 182.8918028 207.9194149 214.2271893 218.2347266 245.3585625 261.7630707 278.6909505 295.2530263 305.0319097 323.3250972 332.2176895 344.2028431 363.1081241 381.3805236 382.8364037 394.2158329 416.5953637 440.4899110 457.7723649 460.0553006 479.9061922 496.6333380 504.0697631 523.9094592 534.2344957 547.7453009 564.2006910 579.2541257 584.8334107 592.5246457 613.8800613 621.6420554 626.3632475 631.2606110 644.8192376 650.3425802 659.6605810 672.7440863 692.5152425 695.5583874 714.1337110 720.6177460 739.2329534 740.4196892 752.9897929 765.2043203 776.9378376 784.1019921 794.8368748 800.2511005 803.2318724 820.8880907 831.7283943 835.8151317 858.8170283 867.7941107 874.2495156 879.0283780 885.7752703 892.9902677 898.5705005 902.4154890 911.6793108 914.9021922 919.4149880 925.7499313 931.5688291 939.7556642 940.8293123 948.9628872 952.9162114 957.6053085 966.5717679 976.3021452 992.8798924 994.9468166 1001.5260352 1010.3622078 1017.1239462 1027.1418154 1035.1702857 1041.3265080 1052.6388865 1055.3410921 1061.0486204 1068.9826228 1074.1531274 1076.9382387 1084.7682770 1093.5826568 1095.4700211 1100.3845955 1104.0188445 1104.8409477 1111.7387559 1118.6379320 1130.3509343 1132.8705356 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 4915 Rtb_to_modes> Number of blocs = 155 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: 9.9814E-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: 1.0002E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0007E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0020E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 1.738 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 2.592 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 2.837 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 3.666 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 3.892 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 4.039 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 5.105 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 5.811 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 6.587 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 7.393 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 7.890 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 8.865 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 9.360 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 10.05 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 11.18 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 12.33 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 12.43 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 13.18 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 14.72 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 16.45 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 17.77 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 17.95 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 19.53 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 20.92 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 21.55 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 23.28 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 24.20 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 25.44 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 26.99 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 28.45 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 29.01 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 29.77 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 31.96 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 32.77 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 33.27 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 33.79 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 35.26 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 35.87 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 36.90 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 38.38 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 40.67 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 41.03 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 43.25 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 44.04 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 46.34 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 46.49 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 48.08 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 49.66 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 51.19 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 52.14 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 53.58 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 54.31 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 54.71 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 57.14 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 58.66 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 59.24 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 62.55 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 63.86 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 64.82 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 65.53 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 66.54 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 67.62 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 68.47 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 69.06 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 70.48 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 70.98 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 71.69 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 72.68 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 73.59 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 74.89 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 75.06 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 76.37 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 77.00 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 77.76 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 79.23 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 80.83 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 83.60 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 83.95 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 85.06 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 86.57 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 87.73 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 89.47 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 90.87 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 91.96 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 93.97 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 94.45 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 95.47 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 96.91 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 97.85 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 98.35 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 99.79 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 101.4 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 101.8 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 102.7 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 103.4 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 103.5 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 104.8 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 106.1 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 108.4 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 108.8 Rtb_to_modes> 106 vectors, with 930 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 0.99996 1.00001 1.00000 1.00002 0.99999 1.00005 1.00000 0.99998 1.00001 1.00004 0.99998 1.00000 1.00003 1.00003 0.99999 0.99997 1.00001 0.99999 0.99997 0.99999 0.99998 0.99999 0.99998 0.99996 0.99998 1.00002 0.99999 1.00002 0.99999 0.99997 0.99998 1.00001 1.00001 0.99996 1.00001 1.00000 1.00001 0.99999 1.00000 1.00001 1.00001 1.00000 0.99999 0.99997 1.00002 0.99998 0.99999 1.00001 1.00000 1.00000 0.99999 1.00000 0.99999 1.00001 1.00000 0.99997 0.99999 1.00000 1.00000 0.99998 0.99997 0.99996 0.99997 1.00000 0.99999 0.99997 0.99999 0.99999 1.00001 1.00000 1.00001 0.99998 0.99997 0.99999 1.00003 0.99999 0.99999 0.99999 1.00003 1.00002 0.99999 0.99999 1.00001 0.99999 1.00001 1.00003 1.00000 1.00001 0.99999 1.00000 0.99999 1.00000 0.99999 0.99997 1.00004 1.00003 0.99999 1.00000 0.99995 1.00000 0.99999 1.00001 1.00001 0.99997 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 88470 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 0.99996 1.00001 1.00000 1.00002 0.99999 1.00005 1.00000 0.99998 1.00001 1.00004 0.99998 1.00000 1.00003 1.00003 0.99999 0.99997 1.00001 0.99999 0.99997 0.99999 0.99998 0.99999 0.99998 0.99996 0.99998 1.00002 0.99999 1.00002 0.99999 0.99997 0.99998 1.00001 1.00001 0.99996 1.00001 1.00000 1.00001 0.99999 1.00000 1.00001 1.00001 1.00000 0.99999 0.99997 1.00002 0.99998 0.99999 1.00001 1.00000 1.00000 0.99999 1.00000 0.99999 1.00001 1.00000 0.99997 0.99999 1.00000 1.00000 0.99998 0.99997 0.99996 0.99997 1.00000 0.99999 0.99997 0.99999 0.99999 1.00001 1.00000 1.00001 0.99998 0.99997 0.99999 1.00003 0.99999 0.99999 0.99999 1.00003 1.00002 0.99999 0.99999 1.00001 0.99999 1.00001 1.00003 1.00000 1.00001 0.99999 1.00000 0.99999 1.00000 0.99999 0.99997 1.00004 1.00003 0.99999 1.00000 0.99995 1.00000 0.99999 1.00001 1.00001 0.99997 0.99999 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> 2212190634311610.eigenfacs Openam> file on opening on unit 10: 2212190634311610.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2212190634311610.atom Openam> file on opening on unit 11: 2212190634311610.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 = 310 First residue number = 1 Last residue number = 310 Number of atoms found = 4915 Mean number per residue = 15.9 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9814E-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: 1.0002E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 1.738 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 2.592 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 2.837 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 3.666 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 3.892 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 4.039 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 5.105 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 5.811 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 6.587 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 7.393 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 7.890 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 8.865 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 9.360 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 10.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 11.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 12.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 12.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 13.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 14.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 16.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 17.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 17.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 19.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 20.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 21.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 23.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 24.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 25.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 26.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 28.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 29.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 29.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 31.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 32.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 33.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 33.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 35.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 35.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 36.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 38.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 40.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 41.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 43.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 44.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 46.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 46.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 48.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 49.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 51.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 52.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 53.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 54.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 54.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 57.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 58.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 59.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 62.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 63.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 64.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 65.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 66.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 67.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 68.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 69.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 70.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 70.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 71.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 72.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 73.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 74.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 75.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 76.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 77.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 77.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 79.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 80.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 83.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 83.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 85.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 86.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 87.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 89.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 90.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 91.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 93.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 94.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 95.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 96.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 97.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 98.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 99.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 101.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 101.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 102.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 103.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 103.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 104.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 106.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 108.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 108.8 Bfactors> 106 vectors, 14745 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 : 1.738000 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-Wn> Experimental B-factors are nearly constant ! Bfactors> = 0.014 +/- 0.02 Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -0.014 Bfactors> Scaling-fct= 0.000 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2212190634311610.eigenfacs Openam> file on opening on unit 10: 2212190634311610.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4306E-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: 3.4342E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4350E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4372E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 143.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 174.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 182.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 207.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 214.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 218.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 245.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 261.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 278.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 295.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 305.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 323.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 332.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 344.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 363.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 381.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 382.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 394.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 416.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 440.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 457.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 460.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 479.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 496.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 504.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 523.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 534.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 547.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 564.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 579.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 584.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 592.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 613.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 621.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 626.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 631.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 644.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 650.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 659.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 672.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 692.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 695.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 714.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 720.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 739.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 740.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 752.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 765.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 776.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 784.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 794.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 800.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 803.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 820.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 831.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 835.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 858.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 867.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 874.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 879.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 885.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 892.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 898.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 902.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 911.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 914.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 919.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 925.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 931.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 939.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 940.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 948.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 952.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 957.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 966.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 976.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 992.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 994.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 1001. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 1010. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 1017. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 1027. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 1035. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 1041. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 1053. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 1055. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 1061. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 1069. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 1074. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 1077. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 1085. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 1093. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 1096. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 1100. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 1104. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 1105. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 1112. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 1118. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 1131. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1133. Chkmod> 106 vectors, 14745 coordinates in file. Chkmod> That is: 4915 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 7 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7208 0.0034 0.7788 0.0034 0.6897 0.0034 0.9016 0.0034 0.7189 0.0034 0.9701 143.1534 0.2021 174.8212 0.0751 182.8969 0.2034 207.9088 0.2838 214.2215 0.3098 218.2296 0.2127 245.3435 0.1880 261.7593 0.1805 278.6894 0.1639 295.2480 0.3135 305.0107 0.0886 323.3077 0.1227 332.2114 0.2433 344.2387 0.2376 363.0760 0.0502 381.2924 0.3248 382.8355 0.0783 394.2161 0.2835 416.6108 0.2773 440.4125 0.1825 457.7416 0.1106 460.0541 0.2868 479.8746 0.0529 496.6580 0.3828 504.0809 0.0359 523.9238 0.4389 534.1759 0.3775 547.6905 0.3294 564.1285 0.3820 579.1856 0.4631 584.8581 0.3067 592.4696 0.2567 613.8751 0.0846 621.6055 0.4605 626.3297 0.2742 631.2054 0.3320 644.7893 0.3822 650.3428 0.2406 659.6139 0.2461 672.7119 0.2114 692.4903 0.3710 695.5485 0.4359 714.1175 0.4025 720.6100 0.4511 739.1876 0.4380 740.3830 0.3924 752.9374 0.4711 765.2089 0.2318 776.9073 0.5002 784.0832 0.4338 794.8368 0.4092 800.2331 0.2728 803.1747 0.4168 820.8178 0.4697 831.6635 0.4827 835.7650 0.1697 858.7966 0.3028 867.7429 0.4699 874.2410 0.4026 879.0159 0.3171 885.7640 0.4042 892.9234 0.3865 898.5180 0.3552 902.3810 0.3506 911.6111 0.4009 914.8389 0.4179 919.4030 0.3529 925.7295 0.3148 931.5068 0.3345 939.6985 0.3947 940.7645 0.3542 948.9384 0.3986 952.8444 0.5045 957.5352 0.4211 966.5436 0.4106 976.2542 0.4851 992.8412 0.3998 994.9173 0.4008 1001.4732 0.3561 1010.3232 0.4905 1017.0697 0.4657 1027.1062 0.2971 1035.1109 0.4506 1041.3006 0.3336 1052.6191 0.3450 1055.3041 0.3208 1060.9871 0.3967 1068.9587 0.3284 1074.1305 0.3674 1076.8713 0.2828 1084.7262 0.3949 1093.4417 0.3847 1095.5962 0.2943 1100.4286 0.1819 1104.1724 0.4013 1104.7063 0.3567 1111.6224 0.2391 1118.4957 0.3769 1130.5539 0.3615 1132.6379 0.2849 getting mode 7 running: ../../bin/get_modes.sh 2212190634311610 7 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2212190634311610 8 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2212190634311610 9 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2212190634311610 10 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2212190634311610 11 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2212190634311610 12 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2212190634311610 13 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2212190634311610 14 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2212190634311610 15 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2212190634311610 16 -1000 1000 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-1000 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-980 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-960 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-940 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-920 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-900 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-880 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-860 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-840 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-820 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-800 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-780 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-760 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-740 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-720 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-700 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-680 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-660 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-640 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-620 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-600 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-580 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-560 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-540 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-520 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-500 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-480 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-460 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-440 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-420 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-400 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-380 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-360 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-340 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-320 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-300 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-280 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-260 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-240 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-220 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-200 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-180 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-160 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-140 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-120 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-100 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-80 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-60 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-40 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=-20 2212190634311610.eigenfacs 2212190634311610.atom calculating perturbed structure for DQ=0 2212190634311610.eigenfacs 2212190634311610.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2212190634311610.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2212190634311610.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2212190634311610.10.pdb 2212190634311610.11.pdb 2212190634311610.12.pdb 2212190634311610.13.pdb 2212190634311610.14.pdb 2212190634311610.15.pdb 2212190634311610.16.pdb 2212190634311610.7.pdb 2212190634311610.8.pdb 2212190634311610.9.pdb STDERR: real 0m16.959s user 0m16.828s sys 0m0.124s 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: 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: 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: 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: 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: 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: 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: 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




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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.