CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***  FXIa G216A  ***

LOGs for ID: 2602071232343282027

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 = 2602071232343282027.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 2602071232343282027.atom to be opened. Openam> File opened: 2602071232343282027.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 = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 1891 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = -0.875484 +/- 11.143570 From: -26.968000 To: 25.772000 = 0.275224 +/- 9.356125 From: -20.449000 To: 21.424000 = -0.148302 +/- 8.708666 From: -20.736000 To: 22.210000 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 4.3686 % Filled. Pdbmat> 703099 non-zero elements. Pdbmat> 76872 atom-atom interactions. Pdbmat> Number per atom= 81.30 +/- 24.88 Maximum number = 128 Minimum number = 12 Pdbmat> Matrix trace = 1.537440E+06 Pdbmat> Larger element = 468.767 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 238 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 = 2602071232343282027.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 2602071232343282027.atom to be opened. Openam> file on opening on unit 11: 2602071232343282027.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1891 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> 238 residues. Blocpdb> 15 atoms in block 1 Block first atom: 1 Blocpdb> 8 atoms in block 2 Block first atom: 16 Blocpdb> 12 atoms in block 3 Block first atom: 24 Blocpdb> 13 atoms in block 4 Block first atom: 36 Blocpdb> 15 atoms in block 5 Block first atom: 49 Blocpdb> 23 atoms in block 6 Block first atom: 64 Blocpdb> 21 atoms in block 7 Block first atom: 87 Blocpdb> 16 atoms in block 8 Block first atom: 108 Blocpdb> 15 atoms in block 9 Block first atom: 124 Blocpdb> 17 atoms in block 10 Block first atom: 139 Blocpdb> 13 atoms in block 11 Block first atom: 156 Blocpdb> 14 atoms in block 12 Block first atom: 169 Blocpdb> 20 atoms in block 13 Block first atom: 183 Blocpdb> 18 atoms in block 14 Block first atom: 203 Blocpdb> 10 atoms in block 15 Block first atom: 221 Blocpdb> 10 atoms in block 16 Block first atom: 231 Blocpdb> 16 atoms in block 17 Block first atom: 241 Blocpdb> 12 atoms in block 18 Block first atom: 257 Blocpdb> 23 atoms in block 19 Block first atom: 269 Blocpdb> 16 atoms in block 20 Block first atom: 292 Blocpdb> 12 atoms in block 21 Block first atom: 308 Blocpdb> 15 atoms in block 22 Block first atom: 320 Blocpdb> 17 atoms in block 23 Block first atom: 335 Blocpdb> 16 atoms in block 24 Block first atom: 352 Blocpdb> 16 atoms in block 25 Block first atom: 368 Blocpdb> 13 atoms in block 26 Block first atom: 384 Blocpdb> 17 atoms in block 27 Block first atom: 397 Blocpdb> 19 atoms in block 28 Block first atom: 414 Blocpdb> 19 atoms in block 29 Block first atom: 433 Blocpdb> 10 atoms in block 30 Block first atom: 452 Blocpdb> 16 atoms in block 31 Block first atom: 462 Blocpdb> 18 atoms in block 32 Block first atom: 478 Blocpdb> 15 atoms in block 33 Block first atom: 496 Blocpdb> 17 atoms in block 34 Block first atom: 511 Blocpdb> 17 atoms in block 35 Block first atom: 528 Blocpdb> 13 atoms in block 36 Block first atom: 545 Blocpdb> 22 atoms in block 37 Block first atom: 558 Blocpdb> 11 atoms in block 38 Block first atom: 580 Blocpdb> 18 atoms in block 39 Block first atom: 591 Blocpdb> 16 atoms in block 40 Block first atom: 609 Blocpdb> 18 atoms in block 41 Block first atom: 625 Blocpdb> 17 atoms in block 42 Block first atom: 643 Blocpdb> 21 atoms in block 43 Block first atom: 660 Blocpdb> 13 atoms in block 44 Block first atom: 681 Blocpdb> 15 atoms in block 45 Block first atom: 694 Blocpdb> 16 atoms in block 46 Block first atom: 709 Blocpdb> 16 atoms in block 47 Block first atom: 725 Blocpdb> 13 atoms in block 48 Block first atom: 741 Blocpdb> 17 atoms in block 49 Block first atom: 754 Blocpdb> 17 atoms in block 50 Block first atom: 771 Blocpdb> 14 atoms in block 51 Block first atom: 788 Blocpdb> 16 atoms in block 52 Block first atom: 802 Blocpdb> 19 atoms in block 53 Block first atom: 818 Blocpdb> 14 atoms in block 54 Block first atom: 837 Blocpdb> 20 atoms in block 55 Block first atom: 851 Blocpdb> 15 atoms in block 56 Block first atom: 871 Blocpdb> 14 atoms in block 57 Block first atom: 886 Blocpdb> 13 atoms in block 58 Block first atom: 900 Blocpdb> 13 atoms in block 59 Block first atom: 913 Blocpdb> 19 atoms in block 60 Block first atom: 926 Blocpdb> 15 atoms in block 61 Block first atom: 945 Blocpdb> 20 atoms in block 62 Block first atom: 960 Blocpdb> 15 atoms in block 63 Block first atom: 980 Blocpdb> 20 atoms in block 64 Block first atom: 995 Blocpdb> 14 atoms in block 65 Block first atom: 1015 Blocpdb> 18 atoms in block 66 Block first atom: 1029 Blocpdb> 16 atoms in block 67 Block first atom: 1047 Blocpdb> 20 atoms in block 68 Block first atom: 1063 Blocpdb> 19 atoms in block 69 Block first atom: 1083 Blocpdb> 17 atoms in block 70 Block first atom: 1102 Blocpdb> 17 atoms in block 71 Block first atom: 1119 Blocpdb> 15 atoms in block 72 Block first atom: 1136 Blocpdb> 17 atoms in block 73 Block first atom: 1151 Blocpdb> 14 atoms in block 74 Block first atom: 1168 Blocpdb> 17 atoms in block 75 Block first atom: 1182 Blocpdb> 15 atoms in block 76 Block first atom: 1199 Blocpdb> 14 atoms in block 77 Block first atom: 1214 Blocpdb> 17 atoms in block 78 Block first atom: 1228 Blocpdb> 15 atoms in block 79 Block first atom: 1245 Blocpdb> 18 atoms in block 80 Block first atom: 1260 Blocpdb> 23 atoms in block 81 Block first atom: 1278 Blocpdb> 15 atoms in block 82 Block first atom: 1301 Blocpdb> 19 atoms in block 83 Block first atom: 1316 Blocpdb> 15 atoms in block 84 Block first atom: 1335 Blocpdb> 19 atoms in block 85 Block first atom: 1350 Blocpdb> 16 atoms in block 86 Block first atom: 1369 Blocpdb> 11 atoms in block 87 Block first atom: 1385 Blocpdb> 16 atoms in block 88 Block first atom: 1396 Blocpdb> 20 atoms in block 89 Block first atom: 1412 Blocpdb> 8 atoms in block 90 Block first atom: 1432 Blocpdb> 17 atoms in block 91 Block first atom: 1440 Blocpdb> 11 atoms in block 92 Block first atom: 1457 Blocpdb> 13 atoms in block 93 Block first atom: 1468 Blocpdb> 14 atoms in block 94 Block first atom: 1481 Blocpdb> 8 atoms in block 95 Block first atom: 1495 Blocpdb> 15 atoms in block 96 Block first atom: 1503 Blocpdb> 12 atoms in block 97 Block first atom: 1518 Blocpdb> 19 atoms in block 98 Block first atom: 1530 Blocpdb> 17 atoms in block 99 Block first atom: 1549 Blocpdb> 21 atoms in block 100 Block first atom: 1566 Blocpdb> 18 atoms in block 101 Block first atom: 1587 Blocpdb> 11 atoms in block 102 Block first atom: 1605 Blocpdb> 15 atoms in block 103 Block first atom: 1616 Blocpdb> 20 atoms in block 104 Block first atom: 1631 Blocpdb> 14 atoms in block 105 Block first atom: 1651 Blocpdb> 10 atoms in block 106 Block first atom: 1665 Blocpdb> 14 atoms in block 107 Block first atom: 1675 Blocpdb> 20 atoms in block 108 Block first atom: 1689 Blocpdb> 18 atoms in block 109 Block first atom: 1709 Blocpdb> 11 atoms in block 110 Block first atom: 1727 Blocpdb> 19 atoms in block 111 Block first atom: 1738 Blocpdb> 15 atoms in block 112 Block first atom: 1757 Blocpdb> 16 atoms in block 113 Block first atom: 1772 Blocpdb> 19 atoms in block 114 Block first atom: 1788 Blocpdb> 22 atoms in block 115 Block first atom: 1807 Blocpdb> 16 atoms in block 116 Block first atom: 1829 Blocpdb> 18 atoms in block 117 Block first atom: 1845 Blocpdb> 16 atoms in block 118 Block first atom: 1863 Blocpdb> 13 atoms in block 119 Block first atom: 1878 Blocpdb> 119 blocks. Blocpdb> At most, 23 atoms in each of them. Blocpdb> At least, 8 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> 703218 matrix lines read. Prepmat> Matrix order = 5673 Prepmat> Matrix trace = 1537440.0000 Prepmat> Last element read: 5673 5673 44.4873 Prepmat> 7141 lines saved. Prepmat> 5806 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: 1891 RTB> Total mass = 1891.0000 RTB> Number of atoms found in matrix: 1891 RTB> Number of blocks = 119 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 164179.3490 RTB> 46239 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 = 714 Diagstd> Nb of non-zero elements: 46239 Diagstd> Projected matrix trace = 164179.3490 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 714 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 164179.3490 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 5.1002249 5.9253886 6.4800709 7.7625231 9.3315863 10.0623447 10.1982029 11.7644932 12.3322707 13.4411501 14.6653186 14.8159295 15.8411424 16.6701196 17.8471595 18.3419318 18.9672653 19.3127437 19.7565391 20.7958900 21.5151374 22.8214735 23.6785981 25.1857179 26.4047697 26.8102132 27.2635908 28.6122909 28.7957330 29.8330287 30.4469800 31.7416916 31.8663962 33.4313146 33.8711732 35.2868392 36.0448744 36.7224550 37.7877685 38.4358326 39.2673345 39.7224470 40.1307290 41.7830388 42.1896079 43.2541010 43.6897979 44.2820767 45.3506317 45.8233116 46.4536912 47.7811929 48.2545988 49.5781935 50.8787596 51.7929497 52.4082022 53.2636536 54.7561657 55.4502684 55.8340572 56.4307668 56.6924862 57.8881785 58.0230758 58.7114057 59.6230827 60.5202398 60.7238773 61.6229244 62.5298203 63.9968800 64.1106667 65.3913184 65.8366976 66.8456249 67.8686188 68.7052034 69.3684558 70.4163932 71.0700187 72.0781401 72.5534396 73.4638080 73.6318051 75.4543201 76.2469230 76.9277128 77.7268273 78.3799517 78.7302476 80.7626768 81.3744860 81.4619622 82.0531641 82.3332924 84.0192819 84.6507574 85.1450941 85.7836583 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034329 0.0034330 0.0034330 0.0034334 0.0034335 0.0034339 245.2392307 264.3344095 276.4299917 302.5497038 331.7210400 344.4648210 346.7824451 372.4619315 381.3439003 398.1195422 415.8541420 417.9840710 432.2037484 443.3682990 458.7539667 465.0694559 472.9308440 477.2184969 482.6704531 495.2038763 503.6946546 518.7607643 528.4127316 544.9698140 558.0029206 562.2706499 567.0048941 580.8601681 582.7192283 593.1218909 599.1939110 611.8011857 613.0018084 627.8732886 631.9902814 645.0622984 651.9541261 658.0533947 667.5301764 673.2299482 680.4731461 684.4051636 687.9134560 701.9324037 705.3392060 714.1820409 717.7699929 722.6188232 731.2854806 735.0866172 740.1255460 750.6262955 754.3356529 764.6111544 774.5751105 781.5029166 786.1309801 792.5209603 803.5479452 808.6248928 811.4184412 815.7428127 817.6322852 826.2095726 827.1716741 832.0635928 838.4988933 844.7838456 846.2039093 852.4451274 858.6948741 868.7097207 869.4816620 878.1229486 881.1083143 887.8340035 894.6018374 900.0986182 904.4327787 911.2387267 915.4581494 921.9281295 924.9628354 930.7477570 931.8113671 943.2728522 948.2141708 952.4379472 957.3720641 961.3859615 963.5318805 975.8894717 979.5788720 980.1052461 983.6553237 985.3329853 995.3704946 999.1040152 1002.0170124 1005.7674164 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1891 Rtb_to_modes> Number of blocs = 119 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: 9.9940E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9942E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9942E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9968E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 9.9972E-10 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 9.9997E-10 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 5.100 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 5.925 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 6.480 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 7.763 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 9.332 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 10.06 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 10.20 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 11.76 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 12.33 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 13.44 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 14.67 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 14.82 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 15.84 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 16.67 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 17.85 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 18.34 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 18.97 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 19.31 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 19.76 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 20.80 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 21.52 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 22.82 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 23.68 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 25.19 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 26.40 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 26.81 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 27.26 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 28.61 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 28.80 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 29.83 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 30.45 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 31.74 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 31.87 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 33.43 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 33.87 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 35.29 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 36.04 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 36.72 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 37.79 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 38.44 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 39.27 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 39.72 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 40.13 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 41.78 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 42.19 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 43.25 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 43.69 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 44.28 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 45.35 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 45.82 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 46.45 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 47.78 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 48.25 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 49.58 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 50.88 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 51.79 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 52.41 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 53.26 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 54.76 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 55.45 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 55.83 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 56.43 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 56.69 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 57.89 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 58.02 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 58.71 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 59.62 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 60.52 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 60.72 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 61.62 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 62.53 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 64.00 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 64.11 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 65.39 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 65.84 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 66.85 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 67.87 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 68.71 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 69.37 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 70.42 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 71.07 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 72.08 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 72.55 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 73.46 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 73.63 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 75.45 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 76.25 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 76.93 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 77.73 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 78.38 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 78.73 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 80.76 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 81.37 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 81.46 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 82.05 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 82.33 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 84.02 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 84.65 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 85.15 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 85.78 Rtb_to_modes> 106 vectors, with 714 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99999 1.00000 0.99999 1.00000 1.00003 0.99997 1.00005 0.99999 1.00000 0.99999 1.00004 1.00000 1.00000 1.00005 1.00001 0.99999 1.00002 0.99998 1.00000 1.00000 1.00000 1.00002 1.00002 0.99997 1.00000 1.00000 1.00000 0.99999 1.00001 1.00002 0.99997 1.00002 1.00001 0.99999 1.00000 0.99999 0.99998 0.99999 0.99999 0.99997 1.00003 1.00000 1.00003 1.00003 1.00000 0.99999 0.99998 0.99998 1.00000 0.99999 0.99999 0.99999 1.00000 0.99998 1.00000 1.00001 1.00005 1.00000 1.00000 1.00002 0.99999 0.99999 1.00002 1.00000 1.00000 1.00000 0.99997 0.99998 0.99997 1.00004 0.99999 1.00000 1.00000 1.00000 0.99999 1.00000 0.99998 1.00000 1.00000 1.00000 0.99999 1.00005 1.00001 1.00002 0.99998 1.00002 0.99997 1.00000 1.00000 0.99999 0.99998 1.00001 0.99999 1.00001 1.00000 1.00002 1.00003 1.00002 1.00000 0.99999 0.99998 0.99999 1.00001 1.00003 1.00000 0.99998 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 34038 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99999 1.00000 0.99999 1.00000 1.00003 0.99997 1.00005 0.99999 1.00000 0.99999 1.00004 1.00000 1.00000 1.00005 1.00001 0.99999 1.00002 0.99998 1.00000 1.00000 1.00000 1.00002 1.00002 0.99997 1.00000 1.00000 1.00000 0.99999 1.00001 1.00002 0.99997 1.00002 1.00001 0.99999 1.00000 0.99999 0.99998 0.99999 0.99999 0.99997 1.00003 1.00000 1.00003 1.00003 1.00000 0.99999 0.99998 0.99998 1.00000 0.99999 0.99999 0.99999 1.00000 0.99998 1.00000 1.00001 1.00005 1.00000 1.00000 1.00002 0.99999 0.99999 1.00002 1.00000 1.00000 1.00000 0.99997 0.99998 0.99997 1.00004 0.99999 1.00000 1.00000 1.00000 0.99999 1.00000 0.99998 1.00000 1.00000 1.00000 0.99999 1.00005 1.00001 1.00002 0.99998 1.00002 0.99997 1.00000 1.00000 0.99999 0.99998 1.00001 0.99999 1.00001 1.00000 1.00002 1.00003 1.00002 1.00000 0.99999 0.99998 0.99999 1.00001 1.00003 1.00000 0.99998 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> 2602071232343282027.eigenfacs Openam> file on opening on unit 10: 2602071232343282027.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2602071232343282027.atom Openam> file on opening on unit 11: 2602071232343282027.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 = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 1891 Mean number per residue = 7.9 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 5.100 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 5.925 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 6.480 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 7.763 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 9.332 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 10.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 10.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 11.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 12.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 13.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 14.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 14.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 15.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 16.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 17.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 18.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 18.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 19.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 19.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 20.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 21.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 22.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 23.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 25.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 26.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 26.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 27.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 28.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 28.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 29.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 30.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 31.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 31.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 33.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 33.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 35.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 36.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 36.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 37.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 38.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 39.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 39.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 40.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 41.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 42.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 43.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 43.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 44.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 45.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 45.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 46.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 47.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 48.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 49.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 50.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 51.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 52.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 53.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 54.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 55.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 55.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 56.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 56.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 57.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 58.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 58.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 59.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 60.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 60.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 61.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 62.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 64.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 64.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 65.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 65.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 66.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 67.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 68.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 69.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 70.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 71.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 72.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 72.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 73.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 73.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 75.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 76.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 76.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 77.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 78.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 78.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 80.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 81.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 81.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 82.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 82.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 84.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 84.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 85.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 85.78 Bfactors> 106 vectors, 5673 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 : 5.100000 Bfactors> 100 eigenvectors will be considered. Bfactors> Rotation-Tranlation modes are skipped. Bfactors> Mass-weighted B-factors are computed. (CHARMM units assumed for eigenvalues) Bfactors> Correlation= -0.615 for 238 C-alpha atoms. Bfactors> = 0.021 +/- 0.02 Bfactors> = 97.739 +/- 3.22 Bfactors> Shiftng-fct= 97.718 Bfactors> Scaling-fct= 140.188 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602071232343282027.eigenfacs Openam> file on opening on unit 10: 2602071232343282027.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 245.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 264.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 276.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 302.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 331.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 344.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 346.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 372.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 381.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 398.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 415.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 418.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 432.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 443.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 458.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 465.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 472.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 477.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 482.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 495.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 503.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 518.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 528.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 545.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 557.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 562.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 566.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 580.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 582.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 593.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 599.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 611.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 613.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 627.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 632.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 645.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 651.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 658.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 667.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 673.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 680.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 684.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 687.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 701.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 705.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 714.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 717.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 722.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 731.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 735.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 740.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 750.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 754.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 764.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 774.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 781.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 786.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 792.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 803.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 808.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 811.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 815.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 817.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 826.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 827.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 832.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 838.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 844.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 846.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 852.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 858.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 868.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 869.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 878.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 881.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 887.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 894.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 900.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 904.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 911.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 915.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 921.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 924.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 930.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 931.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 943.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 948.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 952.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 957.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 961.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 963.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 975.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 979.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 980.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 983.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 985.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 995.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 999.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 1002. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1006. Chkmod> 106 vectors, 5673 coordinates in file. Chkmod> That is: 1891 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 0.7299 0.0034 0.9900 0.0034 0.7902 0.0034 0.9690 0.0034 0.7466 0.0034 0.7374 245.2233 0.4183 264.3144 0.3651 276.4166 0.0188 302.5460 0.1723 331.7142 0.2686 344.4099 0.3537 346.7981 0.1349 372.3748 0.0951 381.2924 0.3096 398.0854 0.1949 415.9027 0.3013 418.0235 0.2280 432.1696 0.2218 443.3477 0.5774 458.7708 0.1033 465.0250 0.4199 472.9446 0.3617 477.1641 0.4962 482.6920 0.2613 495.2315 0.5719 503.7299 0.3983 518.7217 0.3058 528.4057 0.2388 544.9927 0.3448 557.9286 0.0779 562.2443 0.3079 566.9432 0.2882 580.8120 0.5412 582.7374 0.3767 593.0663 0.3746 599.1979 0.5968 611.7586 0.4535 613.0102 0.3348 627.8340 0.3145 631.9522 0.3051 645.0635 0.2555 651.8821 0.4430 658.0032 0.1415 667.5212 0.3772 673.2375 0.5313 680.4670 0.3007 684.3547 0.3781 687.8777 0.3328 701.8767 0.3735 705.3122 0.3071 714.1175 0.4197 717.7408 0.3866 722.5709 0.4683 731.2490 0.4686 735.0285 0.3794 740.0644 0.3808 750.5847 0.2954 754.2673 0.2789 764.5923 0.4218 774.5513 0.4517 781.4471 0.3459 786.1107 0.4036 792.4598 0.3504 803.5416 0.3782 808.5882 0.4680 811.3541 0.2202 815.7023 0.4502 817.5793 0.3278 826.1871 0.3235 827.1142 0.3536 832.0179 0.4055 838.4412 0.2774 844.7459 0.4701 846.1406 0.4236 852.3883 0.2928 858.6592 0.3919 868.6936 0.5288 869.4398 0.3200 878.0764 0.4401 881.0926 0.4222 887.8249 0.3458 894.5725 0.4600 900.0914 0.4377 904.4040 0.4670 911.2229 0.3983 915.4187 0.2963 921.9004 0.4657 924.9012 0.3411 930.6837 0.4085 931.7599 0.4340 943.2054 0.4301 948.1926 0.4657 952.4112 0.5926 957.3505 0.3875 961.3450 0.4014 963.4890 0.4211 975.8314 0.3675 979.5098 0.3690 980.0514 0.4974 983.5941 0.2807 985.2710 0.3696 995.3320 0.3980 999.0567 0.4398 1002.0029 0.3575 1005.7028 0.3448 getting mode 7 running: ../../bin/get_modes.sh 2602071232343282027 7 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2602071232343282027 8 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2602071232343282027 9 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2602071232343282027 10 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2602071232343282027 11 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2602071232343282027 12 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2602071232343282027 13 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2602071232343282027 14 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2602071232343282027 15 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2602071232343282027 16 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 2602071232343282027 17 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 2602071232343282027 18 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 2602071232343282027 19 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 2602071232343282027 20 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 2602071232343282027 21 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 2602071232343282027 22 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 2602071232343282027 23 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 2602071232343282027 24 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 2602071232343282027 25 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 2602071232343282027 26 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 2602071232343282027 27 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 2602071232343282027 28 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 2602071232343282027 29 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 2602071232343282027 30 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 2602071232343282027 31 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=-50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=0 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=50 2602071232343282027.eigenfacs 2602071232343282027.atom calculating perturbed structure for DQ=100 2602071232343282027.eigenfacs 2602071232343282027.atom making animated gifs 5 models are in 2602071232343282027.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602071232343282027.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2602071232343282027.10.pdb 2602071232343282027.11.pdb 2602071232343282027.12.pdb 2602071232343282027.13.pdb 2602071232343282027.14.pdb 2602071232343282027.15.pdb 2602071232343282027.16.pdb 2602071232343282027.17.pdb 2602071232343282027.18.pdb 2602071232343282027.19.pdb 2602071232343282027.20.pdb 2602071232343282027.21.pdb 2602071232343282027.22.pdb 2602071232343282027.23.pdb 2602071232343282027.24.pdb 2602071232343282027.25.pdb 2602071232343282027.26.pdb 2602071232343282027.27.pdb 2602071232343282027.28.pdb 2602071232343282027.29.pdb 2602071232343282027.30.pdb 2602071232343282027.31.pdb 2602071232343282027.7.pdb 2602071232343282027.8.pdb 2602071232343282027.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m6.662s user 0m6.596s sys 0m0.062s rm: cannot remove '2602071232343282027.sdijf': No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format 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Last modification: december 26th, 2025.