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-G226A  ***

LOGs for ID: 2602061647033086323

Output from eigenvector calculation:


STDOUT:
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 = 2602061647033086323.atom Pdbmat> Distance cutoff = 15.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2602061647033086323.atom to be opened. Openam> File opened: 2602061647033086323.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 = 1892 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = -0.992449 +/- 10.452747 From: -27.971000 To: 22.945000 = -0.010090 +/- 8.875239 From: -19.670000 To: 22.464000 = -0.413969 +/- 9.940067 From: -25.520000 To: 22.439000 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 21.5806 % Filled. Pdbmat> 3476928 non-zero elements. Pdbmat> 385114 atom-atom interactions. Pdbmat> Number per atom= 407.10 +/- 142.14 Maximum number = 736 Minimum number = 81 Pdbmat> Matrix trace = 7.702280E+06 Pdbmat> Larger element = 2647.64 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 = 2602061647033086323.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 2602061647033086323.atom to be opened. Openam> file on opening on unit 11: 2602061647033086323.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1892 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> 12 atoms in block 110 Block first atom: 1727 Blocpdb> 19 atoms in block 111 Block first atom: 1739 Blocpdb> 15 atoms in block 112 Block first atom: 1758 Blocpdb> 16 atoms in block 113 Block first atom: 1773 Blocpdb> 19 atoms in block 114 Block first atom: 1789 Blocpdb> 22 atoms in block 115 Block first atom: 1808 Blocpdb> 16 atoms in block 116 Block first atom: 1830 Blocpdb> 18 atoms in block 117 Block first atom: 1846 Blocpdb> 16 atoms in block 118 Block first atom: 1864 Blocpdb> 13 atoms in block 119 Block first atom: 1879 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> 3477047 matrix lines read. Prepmat> Matrix order = 5676 Prepmat> Matrix trace = 7702280.0000 Prepmat> Last element read: 5676 5676 601.7020 Prepmat> 7141 lines saved. Prepmat> 3844 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: 1892 RTB> Total mass = 1892.0000 RTB> Number of atoms found in matrix: 1892 RTB> Number of blocks = 119 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 946098.9934 RTB> 116871 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: 116871 Diagstd> Projected matrix trace = 946098.9934 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 = 946098.9934 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 93.7096300 104.2757758 114.2066451 148.0314727 157.4668726 183.3753702 194.9435956 202.5025819 220.5762549 230.2787963 235.6357264 236.5236124 262.4958527 271.5275907 279.1653841 290.4051240 293.4995360 298.2092057 304.1471749 311.2979706 317.9551076 320.2008208 329.1065189 333.4039945 346.2667238 350.2878716 353.8180195 360.6264343 369.1660692 375.3879386 378.7355113 385.0098052 398.4256123 407.6462496 410.9069446 416.5901947 423.1931338 425.3219456 432.9984515 437.0528593 447.1857528 453.5849555 457.3925034 463.7840849 467.7905519 477.3580425 481.0123546 484.6812769 490.2187681 491.7810340 496.9625257 502.2661567 509.5965018 515.3796112 522.5785434 535.1541490 536.6321895 541.8786978 548.6751941 553.9256860 556.5766075 558.8716697 569.7678036 574.7389240 575.6837632 580.4412410 584.2981660 589.7224377 599.1000726 604.0564755 609.8608264 612.5655565 615.1547836 621.5041182 622.9786151 630.0170961 632.8922269 638.7612929 643.4432865 649.0514947 652.1111327 656.2589452 661.3160389 662.1684830 668.0591467 669.3836028 674.2973246 677.8398005 682.8712914 688.8722472 690.6548231 691.4504629 694.2438502 702.2426328 703.5147394 709.0053814 716.6697965 721.5975218 724.0795169 727.2575905 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034232 0.0034288 0.0034311 0.0034325 0.0034335 0.0034382 1051.2049370 1108.8862416 1160.4888371 1321.2113935 1362.6674480 1470.5025505 1516.1765187 1545.2920227 1612.7782563 1647.8673752 1666.9241900 1670.0617601 1759.3672494 1789.3786996 1814.3708637 1850.5354868 1860.3685532 1875.2354449 1893.8133499 1915.9467080 1936.3246902 1943.1507775 1969.9877369 1982.8080784 2020.6944993 2032.3936555 2042.6090598 2062.1680753 2086.4412911 2103.9501104 2113.3104187 2130.7435147 2167.5489033 2192.4868932 2201.2380984 2216.4084751 2233.9044160 2239.5160341 2259.6358266 2270.1902972 2296.3562259 2312.7282269 2322.4148588 2338.5852220 2348.6646070 2372.5610820 2381.6250844 2390.6907544 2404.3088078 2408.1368760 2420.7899121 2433.6730801 2451.3679252 2465.2382474 2482.3960256 2512.0873044 2515.5539754 2527.8210119 2543.6241709 2555.7656708 2561.8739338 2567.1504863 2592.0551198 2603.3381673 2605.4771609 2616.2209031 2624.8986641 2637.0545052 2657.9387355 2668.9107591 2681.7028234 2687.6429147 2693.3170664 2707.1809519 2710.3903959 2725.6585362 2731.8708314 2744.5084731 2754.5484604 2766.5266458 2773.0397021 2781.8448091 2792.5426076 2794.3418381 2806.7435774 2809.5244448 2819.8174810 2827.2148483 2837.6884188 2850.1297051 2853.8149241 2855.4582596 2861.2203216 2877.6559983 2880.2612438 2891.4790235 2907.0655943 2917.0427696 2922.0551696 2928.4607773 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1892 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: 9.9375E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9701E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9831E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9912E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 9.9974E-10 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0025E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 93.71 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 104.3 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 114.2 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 148.0 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 157.5 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 183.4 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 194.9 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 202.5 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 220.6 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 230.3 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 235.6 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 236.5 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 262.5 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 271.5 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 279.2 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 290.4 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 293.5 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 298.2 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 304.1 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 311.3 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 318.0 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 320.2 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 329.1 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 333.4 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 346.3 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 350.3 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 353.8 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 360.6 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 369.2 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 375.4 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 378.7 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 385.0 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 398.4 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 407.6 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 410.9 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 416.6 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 423.2 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 425.3 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 433.0 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 437.1 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 447.2 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 453.6 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 457.4 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 463.8 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 467.8 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 477.4 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 481.0 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 484.7 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 490.2 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 491.8 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 497.0 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 502.3 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 509.6 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 515.4 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 522.6 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 535.2 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 536.6 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 541.9 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 548.7 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 553.9 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 556.6 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 558.9 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 569.8 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 574.7 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 575.7 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 580.4 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 584.3 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 589.7 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 599.1 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 604.1 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 609.9 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 612.6 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 615.2 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 621.5 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 623.0 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 630.0 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 632.9 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 638.8 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 643.4 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 649.1 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 652.1 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 656.3 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 661.3 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 662.2 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 668.1 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 669.4 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 674.3 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 677.8 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 682.9 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 688.9 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 690.7 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 691.5 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 694.2 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 702.2 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 703.5 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 709.0 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 716.7 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 721.6 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 724.1 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 727.3 Rtb_to_modes> 106 vectors, with 714 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 0.99996 1.00001 0.99999 1.00000 1.00004 1.00001 0.99997 0.99994 0.99999 1.00002 1.00001 0.99998 1.00003 1.00004 1.00001 1.00003 1.00000 1.00003 1.00000 1.00000 0.99998 0.99996 0.99995 0.99998 0.99999 1.00002 0.99999 1.00003 0.99999 0.99999 0.99999 1.00000 1.00002 1.00002 1.00000 1.00000 0.99999 1.00000 1.00002 0.99999 1.00001 1.00002 0.99999 0.99999 1.00002 0.99997 1.00001 1.00002 0.99998 1.00001 1.00003 1.00000 0.99998 0.99997 0.99995 0.99999 0.99997 1.00000 1.00000 1.00002 1.00001 0.99999 1.00003 1.00000 0.99997 1.00000 0.99999 0.99998 1.00000 1.00001 1.00000 1.00005 1.00003 0.99999 0.99998 1.00003 0.99998 1.00002 1.00001 0.99998 0.99999 1.00002 0.99998 1.00002 0.99998 1.00004 0.99999 0.99999 0.99998 1.00000 1.00001 0.99997 1.00000 0.99999 1.00002 0.99998 0.99998 0.99999 0.99996 1.00001 1.00000 1.00002 1.00004 1.00000 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 34056 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 0.99996 1.00001 0.99999 1.00000 1.00004 1.00001 0.99997 0.99994 0.99999 1.00002 1.00001 0.99998 1.00003 1.00004 1.00001 1.00003 1.00000 1.00003 1.00000 1.00000 0.99998 0.99996 0.99995 0.99998 0.99999 1.00002 0.99999 1.00003 0.99999 0.99999 0.99999 1.00000 1.00002 1.00002 1.00000 1.00000 0.99999 1.00000 1.00002 0.99999 1.00001 1.00002 0.99999 0.99999 1.00002 0.99997 1.00001 1.00002 0.99998 1.00001 1.00003 1.00000 0.99998 0.99997 0.99995 0.99999 0.99997 1.00000 1.00000 1.00002 1.00001 0.99999 1.00003 1.00000 0.99997 1.00000 0.99999 0.99998 1.00000 1.00001 1.00000 1.00005 1.00003 0.99999 0.99998 1.00003 0.99998 1.00002 1.00001 0.99998 0.99999 1.00002 0.99998 1.00002 0.99998 1.00004 0.99999 0.99999 0.99998 1.00000 1.00001 0.99997 1.00000 0.99999 1.00002 0.99998 0.99998 0.99999 0.99996 1.00001 1.00000 1.00002 1.00004 1.00000 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3: 0.000-0.000 Vector 4:-0.000 0.000-0.000 Vector 5: 0.000-0.000 0.000-0.000 Vector 6:-0.000-0.000 0.000 0.000-0.000 Vector 7:-0.000-0.000-0.000 0.000-0.000-0.000 Vector 8: 0.000-0.000-0.000 0.000 0.000 0.000-0.000 Vector 9:-0.000 0.000 0.000-0.000-0.000 0.000-0.000 0.000 Vector 10:-0.000 0.000-0.000 0.000-0.000-0.000-0.000 0.000-0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602061647033086323.eigenfacs Openam> file on opening on unit 10: 2602061647033086323.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2602061647033086323.atom Openam> file on opening on unit 11: 2602061647033086323.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 = 1892 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: 9.9375E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9701E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9831E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9912E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 93.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 104.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 114.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 148.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 157.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 183.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 194.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 202.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 220.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 230.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 235.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 236.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 262.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 271.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 279.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 290.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 293.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 298.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 304.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 311.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 318.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 320.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 329.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 333.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 346.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 350.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 353.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 360.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 369.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 375.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 378.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 385.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 398.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 407.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 410.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 416.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 423.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 425.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 433.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 437.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 447.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 453.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 457.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 463.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 467.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 477.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 481.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 484.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 490.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 491.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 497.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 502.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 509.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 515.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 522.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 535.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 536.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 541.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 548.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 553.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 556.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 558.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 569.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 574.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 575.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 580.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 584.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 589.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 599.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 604.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 609.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 612.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 615.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 621.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 623.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 630.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 632.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 638.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 643.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 649.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 652.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 656.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 661.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 662.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 668.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 669.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 674.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 677.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 682.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 688.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 690.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 691.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 694.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 702.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 703.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 709.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 716.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 721.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 724.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 727.3 Bfactors> 106 vectors, 5676 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 : 93.710000 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= -0.618 for 238 C-alpha atoms. Bfactors> = 0.001 +/- 0.00 Bfactors> = 97.095 +/- 4.48 Bfactors> Shiftng-fct= 97.094 Bfactors> Scaling-fct= 1966.247 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602061647033086323.eigenfacs Openam> file on opening on unit 10: 2602061647033086323.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4231E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4287E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4309E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4323E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4381E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 1051. Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 1109. Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 1160. Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 1321. Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 1363. Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 1471. Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 1516. Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 1545. Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 1613. Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 1648. Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 1667. Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 1670. Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 1759. Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 1789. Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 1814. Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 1850. Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 1860. Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 1875. Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 1894. Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 1916. Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 1936. Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 1943. Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 1970. Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 1983. Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 2021. Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 2032. Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 2042. Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 2062. Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 2086. Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 2104. Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 2113. Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 2131. Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 2167. Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 2192. Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 2201. Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 2216. Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 2234. Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 2239. Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 2260. Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 2270. Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 2296. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 2313. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 2322. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 2339. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 2349. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 2373. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 2381. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 2391. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 2404. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 2408. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 2421. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 2434. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 2451. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 2465. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 2482. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 2512. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 2515. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 2528. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 2544. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 2556. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 2562. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 2567. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 2592. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 2603. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 2605. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 2616. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 2625. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 2637. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 2658. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 2669. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 2682. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 2688. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 2693. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 2707. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 2710. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 2726. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 2732. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 2744. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 2754. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 2767. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 2773. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 2782. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 2792. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 2794. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 2807. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 2809. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 2820. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 2827. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 2838. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 2850. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 2854. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 2855. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 2861. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 2877. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 2880. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 2891. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 2907. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 2917. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 2922. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 2928. Chkmod> 106 vectors, 5676 coordinates in file. Chkmod> That is: 1892 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 10 is: 0.9998 (instead of 1.0000). %Chkmod-Wn> Norm of vector 25 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 57 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 74 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.9498 0.0034 0.9723 0.0034 0.6873 0.0034 0.9411 0.0034 0.8281 0.0034 0.7633 1051.1619 0.0880 1108.9674 0.2885 1160.4053 0.2084 1321.0142 0.0473 1362.7523 0.3028 1470.5382 0.1026 1515.9419 0.1946 1545.2158 0.2665 1612.7958 0.0997 1647.8725 0.1653 1666.7263 0.1839 1669.9067 0.1116 1759.3056 0.2597 1789.2110 0.1049 1814.4055 0.1800 1850.4397 0.0880 1860.2902 0.1259 1875.1260 0.0964 1893.5852 0.0996 1915.8707 0.0352 1936.3783 0.1937 1943.0649 0.1788 1969.8837 0.1592 1982.7111 0.0940 2020.7048 0.1839 2032.3416 0.2656 2042.4694 0.1728 2062.0040 0.1519 2086.4476 0.0965 2103.8936 0.4092 2113.1206 0.1562 2130.6249 0.1105 2167.3862 0.2547 2192.2684 0.2770 2201.1250 0.1722 2216.3394 0.3644 2233.8266 0.1519 2239.3621 0.0777 2259.5429 0.3441 2270.2153 0.2491 2296.2942 0.2442 2312.6673 0.1535 2322.3342 0.2881 2338.5250 0.1240 2348.5875 0.0687 2372.5635 0.2680 2381.4923 0.2593 2390.6343 0.1762 2404.1596 0.1637 2408.0799 0.2477 2420.7773 0.1437 2433.6506 0.2611 2451.2711 0.2751 2465.1812 0.1660 2482.3404 0.1843 2512.0871 0.2036 2515.3705 0.1634 2527.7622 0.1221 2543.5725 0.2065 2555.5967 0.2247 2561.8178 0.2460 2567.1053 0.2577 2592.0171 0.2088 2603.1383 0.2309 2605.4021 0.2836 2616.0157 0.1771 2624.7901 0.1454 2636.8911 0.1421 2657.8245 0.1223 2668.8923 0.0541 2681.6738 0.2685 2687.6031 0.1516 2693.3004 0.2475 2707.0558 0.3072 2710.3206 0.1830 2725.5046 0.1565 2731.7703 0.2677 2744.4738 0.2676 2754.3376 0.4393 2766.5113 0.1311 2772.8970 0.2690 2781.8124 0.1055 2792.3889 0.1555 2794.2884 0.1148 2806.7089 0.0841 2809.4382 0.2787 2819.7020 0.1792 2827.0105 0.1918 2837.6263 0.2305 2850.0648 0.3384 2853.7857 0.1961 2855.4380 0.3119 2861.0071 0.2184 2877.4451 0.2066 2880.1074 0.2609 2891.3439 0.3905 2907.0021 0.1614 2916.9226 0.1862 2921.9711 0.1739 2928.4204 0.2286 getting mode 7 running: ../../bin/get_modes.sh 2602061647033086323 7 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.7.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 2602061647033086323.7.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 2602061647033086323.7.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 2602061647033086323 8 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.8.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 2602061647033086323.8.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 2602061647033086323.8.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 2602061647033086323 9 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.9.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 2602061647033086323.9.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 2602061647033086323.9.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 2602061647033086323 10 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.10.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 2602061647033086323.10.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 2602061647033086323.10.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 2602061647033086323 11 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.11.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 2602061647033086323.11.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 2602061647033086323.11.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 2602061647033086323 12 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.12.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 2602061647033086323.12.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 2602061647033086323.12.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 2602061647033086323 13 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.13.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 2602061647033086323.13.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 2602061647033086323.13.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 2602061647033086323 14 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.14.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 2602061647033086323.14.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 2602061647033086323.14.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 2602061647033086323 15 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.15.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 2602061647033086323.15.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 2602061647033086323.15.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 2602061647033086323 16 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.16.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 2602061647033086323.16.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 2602061647033086323.16.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 2602061647033086323 17 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.17.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 2602061647033086323.17.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 2602061647033086323.17.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 2602061647033086323 18 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.18.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 2602061647033086323.18.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 2602061647033086323.18.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 2602061647033086323 19 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.19.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 2602061647033086323.19.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 2602061647033086323.19.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 2602061647033086323 20 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.20.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 2602061647033086323.20.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 2602061647033086323.20.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 2602061647033086323 21 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.21.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 2602061647033086323.21.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 2602061647033086323.21.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 2602061647033086323 22 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.22.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 2602061647033086323.22.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 2602061647033086323.22.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 2602061647033086323 23 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.23.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 2602061647033086323.23.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 2602061647033086323.23.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 2602061647033086323 24 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.24.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 2602061647033086323.24.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 2602061647033086323.24.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 2602061647033086323 25 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.25.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 2602061647033086323.25.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 2602061647033086323.25.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 2602061647033086323 26 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.26.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 2602061647033086323.26.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 2602061647033086323.26.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 2602061647033086323 27 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.27.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 2602061647033086323.27.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 2602061647033086323.27.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 2602061647033086323 28 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.28.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 2602061647033086323.28.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 2602061647033086323.28.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 2602061647033086323 29 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.29.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 2602061647033086323.29.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 2602061647033086323.29.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 2602061647033086323 30 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.30.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 2602061647033086323.30.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 2602061647033086323.30.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 2602061647033086323 31 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=-50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=0 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=50 2602061647033086323.eigenfacs 2602061647033086323.atom calculating perturbed structure for DQ=100 2602061647033086323.eigenfacs 2602061647033086323.atom making animated gifs 5 models are in 2602061647033086323.31.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 2602061647033086323.31.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 2602061647033086323.31.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 2602061647033086323.10.pdb 2602061647033086323.11.pdb 2602061647033086323.12.pdb 2602061647033086323.13.pdb 2602061647033086323.14.pdb 2602061647033086323.15.pdb 2602061647033086323.16.pdb 2602061647033086323.17.pdb 2602061647033086323.18.pdb 2602061647033086323.19.pdb 2602061647033086323.20.pdb 2602061647033086323.21.pdb 2602061647033086323.22.pdb 2602061647033086323.23.pdb 2602061647033086323.24.pdb 2602061647033086323.25.pdb 2602061647033086323.26.pdb 2602061647033086323.27.pdb 2602061647033086323.28.pdb 2602061647033086323.29.pdb 2602061647033086323.30.pdb 2602061647033086323.31.pdb 2602061647033086323.7.pdb 2602061647033086323.8.pdb 2602061647033086323.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m8.225s user 0m8.044s sys 0m0.177s rm: cannot remove '2602061647033086323.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: 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ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing 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Last modification: december 26th, 2025.