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 G226A  ***

LOGs for ID: 2602071245243314933

Output from eigenvector calculation:


STDOUT:
CUTOFF set to default value (CUTOFF=8) Build Tirion matrix: Pdbmat> Computes the Hessian matrix, using an Elastic Network Model. Pdbmat> Version 3.50, Fevrier 2004. Pdbmat> Options to be read in pdbmat.dat file. Pdbmat> Coordinate filename = 2602071245243314933.atom Pdbmat> Distance cutoff = 8.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2602071245243314933.atom to be opened. Openam> File opened: 2602071245243314933.atom Pdbmat> Coordinate file in PDB format. Rdatompdb> Reading pdb file. Rdatompdb> End of file reached. Rdatompdb> Number of I/O errors: 0 Rdatompdb> Number of residues found = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 1891 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = 0.960564 +/- 10.299710 From: -24.626000 To: 26.614000 = 0.594718 +/- 10.479959 From: -27.154000 To: 24.384000 = -0.624332 +/- 8.481249 From: -20.871000 To: 21.285000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 4.3628 % Filled. Pdbmat> 702163 non-zero elements. Pdbmat> 76773 atom-atom interactions. Pdbmat> Number per atom= 81.20 +/- 24.93 Maximum number = 128 Minimum number = 11 Pdbmat> Matrix trace = 1.535460E+06 Pdbmat> Larger element = 470.628 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 = 2602071245243314933.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 2602071245243314933.atom to be opened. Openam> file on opening on unit 11: 2602071245243314933.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1891 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 2 residue(s) per block. Blocpdb> 238 residues. Blocpdb> 15 atoms in block 1 Block first atom: 1 Blocpdb> 8 atoms in block 2 Block first atom: 16 Blocpdb> 12 atoms in block 3 Block first atom: 24 Blocpdb> 13 atoms in block 4 Block first atom: 36 Blocpdb> 15 atoms in block 5 Block first atom: 49 Blocpdb> 23 atoms in block 6 Block first atom: 64 Blocpdb> 21 atoms in block 7 Block first atom: 87 Blocpdb> 16 atoms in block 8 Block first atom: 108 Blocpdb> 15 atoms in block 9 Block first atom: 124 Blocpdb> 17 atoms in block 10 Block first atom: 139 Blocpdb> 13 atoms in block 11 Block first atom: 156 Blocpdb> 14 atoms in block 12 Block first atom: 169 Blocpdb> 20 atoms in block 13 Block first atom: 183 Blocpdb> 18 atoms in block 14 Block first atom: 203 Blocpdb> 10 atoms in block 15 Block first atom: 221 Blocpdb> 10 atoms in block 16 Block first atom: 231 Blocpdb> 16 atoms in block 17 Block first atom: 241 Blocpdb> 12 atoms in block 18 Block first atom: 257 Blocpdb> 23 atoms in block 19 Block first atom: 269 Blocpdb> 16 atoms in block 20 Block first atom: 292 Blocpdb> 12 atoms in block 21 Block first atom: 308 Blocpdb> 15 atoms in block 22 Block first atom: 320 Blocpdb> 17 atoms in block 23 Block first atom: 335 Blocpdb> 16 atoms in block 24 Block first atom: 352 Blocpdb> 16 atoms in block 25 Block first atom: 368 Blocpdb> 13 atoms in block 26 Block first atom: 384 Blocpdb> 17 atoms in block 27 Block first atom: 397 Blocpdb> 19 atoms in block 28 Block first atom: 414 Blocpdb> 19 atoms in block 29 Block first atom: 433 Blocpdb> 10 atoms in block 30 Block first atom: 452 Blocpdb> 16 atoms in block 31 Block first atom: 462 Blocpdb> 18 atoms in block 32 Block first atom: 478 Blocpdb> 15 atoms in block 33 Block first atom: 496 Blocpdb> 17 atoms in block 34 Block first atom: 511 Blocpdb> 17 atoms in block 35 Block first atom: 528 Blocpdb> 13 atoms in block 36 Block first atom: 545 Blocpdb> 22 atoms in block 37 Block first atom: 558 Blocpdb> 11 atoms in block 38 Block first atom: 580 Blocpdb> 18 atoms in block 39 Block first atom: 591 Blocpdb> 16 atoms in block 40 Block first atom: 609 Blocpdb> 18 atoms in block 41 Block first atom: 625 Blocpdb> 17 atoms in block 42 Block first atom: 643 Blocpdb> 21 atoms in block 43 Block first atom: 660 Blocpdb> 13 atoms in block 44 Block first atom: 681 Blocpdb> 15 atoms in block 45 Block first atom: 694 Blocpdb> 16 atoms in block 46 Block first atom: 709 Blocpdb> 16 atoms in block 47 Block first atom: 725 Blocpdb> 13 atoms in block 48 Block first atom: 741 Blocpdb> 17 atoms in block 49 Block first atom: 754 Blocpdb> 17 atoms in block 50 Block first atom: 771 Blocpdb> 14 atoms in block 51 Block first atom: 788 Blocpdb> 16 atoms in block 52 Block first atom: 802 Blocpdb> 19 atoms in block 53 Block first atom: 818 Blocpdb> 14 atoms in block 54 Block first atom: 837 Blocpdb> 20 atoms in block 55 Block first atom: 851 Blocpdb> 15 atoms in block 56 Block first atom: 871 Blocpdb> 14 atoms in block 57 Block first atom: 886 Blocpdb> 13 atoms in block 58 Block first atom: 900 Blocpdb> 13 atoms in block 59 Block first atom: 913 Blocpdb> 19 atoms in block 60 Block first atom: 926 Blocpdb> 15 atoms in block 61 Block first atom: 945 Blocpdb> 20 atoms in block 62 Block first atom: 960 Blocpdb> 15 atoms in block 63 Block first atom: 980 Blocpdb> 20 atoms in block 64 Block first atom: 995 Blocpdb> 14 atoms in block 65 Block first atom: 1015 Blocpdb> 18 atoms in block 66 Block first atom: 1029 Blocpdb> 16 atoms in block 67 Block first atom: 1047 Blocpdb> 20 atoms in block 68 Block first atom: 1063 Blocpdb> 19 atoms in block 69 Block first atom: 1083 Blocpdb> 17 atoms in block 70 Block first atom: 1102 Blocpdb> 17 atoms in block 71 Block first atom: 1119 Blocpdb> 15 atoms in block 72 Block first atom: 1136 Blocpdb> 17 atoms in block 73 Block first atom: 1151 Blocpdb> 14 atoms in block 74 Block first atom: 1168 Blocpdb> 17 atoms in block 75 Block first atom: 1182 Blocpdb> 15 atoms in block 76 Block first atom: 1199 Blocpdb> 14 atoms in block 77 Block first atom: 1214 Blocpdb> 17 atoms in block 78 Block first atom: 1228 Blocpdb> 15 atoms in block 79 Block first atom: 1245 Blocpdb> 18 atoms in block 80 Block first atom: 1260 Blocpdb> 23 atoms in block 81 Block first atom: 1278 Blocpdb> 15 atoms in block 82 Block first atom: 1301 Blocpdb> 19 atoms in block 83 Block first atom: 1316 Blocpdb> 15 atoms in block 84 Block first atom: 1335 Blocpdb> 19 atoms in block 85 Block first atom: 1350 Blocpdb> 16 atoms in block 86 Block first atom: 1369 Blocpdb> 11 atoms in block 87 Block first atom: 1385 Blocpdb> 16 atoms in block 88 Block first atom: 1396 Blocpdb> 20 atoms in block 89 Block first atom: 1412 Blocpdb> 8 atoms in block 90 Block first atom: 1432 Blocpdb> 17 atoms in block 91 Block first atom: 1440 Blocpdb> 11 atoms in block 92 Block first atom: 1457 Blocpdb> 13 atoms in block 93 Block first atom: 1468 Blocpdb> 14 atoms in block 94 Block first atom: 1481 Blocpdb> 8 atoms in block 95 Block first atom: 1495 Blocpdb> 15 atoms in block 96 Block first atom: 1503 Blocpdb> 12 atoms in block 97 Block first atom: 1518 Blocpdb> 19 atoms in block 98 Block first atom: 1530 Blocpdb> 17 atoms in block 99 Block first atom: 1549 Blocpdb> 21 atoms in block 100 Block first atom: 1566 Blocpdb> 18 atoms in block 101 Block first atom: 1587 Blocpdb> 11 atoms in block 102 Block first atom: 1605 Blocpdb> 15 atoms in block 103 Block first atom: 1616 Blocpdb> 20 atoms in block 104 Block first atom: 1631 Blocpdb> 13 atoms in block 105 Block first atom: 1651 Blocpdb> 10 atoms in block 106 Block first atom: 1664 Blocpdb> 14 atoms in block 107 Block first atom: 1674 Blocpdb> 20 atoms in block 108 Block first atom: 1688 Blocpdb> 18 atoms in block 109 Block first atom: 1708 Blocpdb> 12 atoms in block 110 Block first atom: 1726 Blocpdb> 19 atoms in block 111 Block first atom: 1738 Blocpdb> 15 atoms in block 112 Block first atom: 1757 Blocpdb> 16 atoms in block 113 Block first atom: 1772 Blocpdb> 19 atoms in block 114 Block first atom: 1788 Blocpdb> 22 atoms in block 115 Block first atom: 1807 Blocpdb> 16 atoms in block 116 Block first atom: 1829 Blocpdb> 18 atoms in block 117 Block first atom: 1845 Blocpdb> 16 atoms in block 118 Block first atom: 1863 Blocpdb> 13 atoms in block 119 Block first atom: 1878 Blocpdb> 119 blocks. Blocpdb> At most, 23 atoms in each of them. Blocpdb> At least, 8 atoms in each of them. Blocpdb> Normal end of Blocpdb. Diagrtb> Memory allocation for Prepmat. Diagrtb> Memory allocation for RTB. Diagrtb> Memory allocation for Diagstd. Diagrtb> Memory allocation for RTB_to_modes. Prepmat> Entering in. Prepmat> Rewriting of the matrix begins. Prepmat> 702282 matrix lines read. Prepmat> Matrix order = 5673 Prepmat> Matrix trace = 1535460.0000 Prepmat> Last element read: 5673 5673 25.2803 Prepmat> 7141 lines saved. Prepmat> 5804 empty lines. Prepmat> Number of lines on output is as expected. Prepmat> Normal end of Prepmat. RTB> Entering in. RTB> Number of atoms found in temporary coordinate file: 1891 RTB> Total mass = 1891.0000 RTB> Number of atoms found in matrix: 1891 RTB> Number of blocks = 119 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 163809.8424 RTB> 46311 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: 46311 Diagstd> Projected matrix trace = 163809.8424 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 = 163809.8424 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 4.9863923 5.9276262 7.0763104 7.4283184 9.1639655 10.1430026 10.5472296 11.2854644 12.3224774 13.2717666 14.1646976 14.6443089 15.9109083 16.6427277 17.8029861 17.9405495 18.8200976 19.4061777 20.4352541 20.8346748 21.3672355 23.0303290 24.0221077 25.3988200 26.0131228 26.7362091 27.5306189 27.8615608 28.3566456 30.3139188 30.4364557 31.5827743 32.2266478 33.7522158 33.8191170 34.8390234 35.3948874 36.9513173 37.3151350 38.3118320 38.6151560 39.4104347 39.7960065 41.0745196 41.5148698 42.5762303 43.1143709 43.9742949 44.4448144 44.5213541 46.5691264 47.2651263 47.5770882 49.2421450 50.1076746 51.5181108 52.4893836 53.5531729 54.0265087 54.7194256 55.3457493 56.4771195 56.5721264 57.6381171 58.1087621 58.6117625 59.7427613 60.0434036 60.8426604 61.5840578 62.8523381 63.5208365 64.1657454 65.4731924 65.9804503 67.1048711 67.3438875 67.6328433 69.3078971 69.4637133 70.5671780 72.2454933 72.6596047 72.9591951 74.6358969 75.4623224 75.6217443 76.2982509 77.3652153 77.8443336 78.4370792 79.0856196 79.5550227 80.7062250 81.6663833 81.9242655 83.1054643 83.5341160 84.0382406 85.6329308 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034322 0.0034342 0.0034343 0.0034348 0.0034349 0.0034358 242.4870222 264.3843129 288.8675238 295.9651223 328.7282304 345.8426479 352.6667217 364.8001406 381.1924552 395.6030649 408.6946320 415.5561560 433.1544368 443.0038841 458.1858850 459.9526774 471.0925275 478.3714824 490.8912620 495.6654446 501.9603909 521.1291321 532.2318197 547.2705152 553.8491907 561.4940969 569.7748396 573.1892026 578.2594093 597.8831609 599.0903433 610.2677484 616.4570825 630.8795131 631.5044459 640.9560726 646.0491324 660.1007759 663.3424478 672.1430930 674.7986066 681.7119282 685.0385734 695.9555883 699.6762305 708.5636741 713.0275442 720.1031700 723.9454263 724.5685221 741.0445638 746.5616754 749.0213723 762.0154235 768.6832268 779.4266386 786.7396111 794.6719498 798.1761232 803.2783186 807.8624387 816.0777732 816.7638955 824.4231394 827.7822168 831.3572161 839.3400105 841.4492576 847.0311422 852.1762588 860.9065248 865.4727226 869.8550764 878.6725092 882.0697281 889.5539727 891.1367858 893.0465626 904.0379072 905.0535539 912.2138364 922.9977892 925.6393222 927.5456592 938.1432503 943.3228700 944.3187776 948.5332760 955.1424550 958.0954613 961.7362525 965.7040238 968.5656937 975.5483464 981.3342164 982.8823998 989.9427296 992.4924705 995.4827892 1004.8834283 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1891 Rtb_to_modes> Number of blocs = 119 Openam> file on opening on unit 10: diagrtb_work.eigenfacs Openam> file on opening on unit 11: matrix.eigenrtb Rdmodfacs> Entering in. Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Eigenvector number: 1 Rdmodfacs> Corresponding eigenvalue: 9.9898E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 1.0001E-09 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 1.0002E-09 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0005E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0005E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0011E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 4.986 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 5.928 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 7.076 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 7.428 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 9.164 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 10.14 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 10.55 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 11.29 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 12.32 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 13.27 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 14.16 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 14.64 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 15.91 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 16.64 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 17.80 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 17.94 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 18.82 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 19.41 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 20.44 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 20.83 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 21.37 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 23.03 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 24.02 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 25.40 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 26.01 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 26.74 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 27.53 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 27.86 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 28.36 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 30.31 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 30.44 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 31.58 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 32.23 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 33.75 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 33.82 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 34.84 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 35.39 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 36.95 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 37.32 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 38.31 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 38.62 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 39.41 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 39.80 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 41.07 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 41.51 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 42.58 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 43.11 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 43.97 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 44.44 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 44.52 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 46.57 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 47.27 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 47.58 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 49.24 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 50.11 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 51.52 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 52.49 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 53.55 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 54.03 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 54.72 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 55.35 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 56.48 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 56.57 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 57.64 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 58.11 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 58.61 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 59.74 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 60.04 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 60.84 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 61.58 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 62.85 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 63.52 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 64.17 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 65.47 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 65.98 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 67.10 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 67.34 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 67.63 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 69.31 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 69.46 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 70.57 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 72.25 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 72.66 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 72.96 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 74.64 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 75.46 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 75.62 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 76.30 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 77.37 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 77.84 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 78.44 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 79.09 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 79.56 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 80.71 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 81.67 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 81.92 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 83.11 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 83.53 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 84.04 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 85.63 Rtb_to_modes> 106 vectors, with 714 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00002 0.99998 1.00002 1.00000 1.00001 1.00001 0.99994 1.00002 0.99999 1.00000 1.00001 0.99999 1.00003 0.99998 0.99999 0.99997 1.00002 1.00001 1.00001 0.99998 0.99999 0.99999 1.00001 1.00002 1.00002 1.00000 0.99998 1.00001 0.99999 0.99997 1.00002 1.00001 0.99997 1.00002 0.99998 1.00001 0.99998 0.99999 0.99998 1.00000 1.00000 0.99999 1.00003 0.99998 0.99997 1.00001 1.00000 1.00004 1.00000 0.99999 1.00000 1.00000 1.00002 0.99999 1.00001 1.00001 0.99999 1.00000 0.99995 1.00000 1.00001 1.00000 0.99997 1.00000 1.00000 0.99997 1.00001 1.00000 1.00001 1.00000 1.00000 1.00000 0.99999 0.99998 1.00000 1.00001 1.00001 1.00000 0.99997 1.00006 0.99999 0.99998 1.00001 0.99998 0.99998 1.00001 1.00003 0.99996 1.00001 1.00000 0.99998 1.00003 1.00000 1.00000 1.00001 0.99998 1.00000 1.00000 1.00000 1.00001 0.99998 0.99998 1.00003 1.00001 0.99999 1.00000 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 34038 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00002 0.99998 1.00002 1.00000 1.00001 1.00001 0.99994 1.00002 0.99999 1.00000 1.00001 0.99999 1.00003 0.99998 0.99999 0.99997 1.00002 1.00001 1.00001 0.99998 0.99999 0.99999 1.00001 1.00002 1.00002 1.00000 0.99998 1.00001 0.99999 0.99997 1.00002 1.00001 0.99997 1.00002 0.99998 1.00001 0.99998 0.99999 0.99998 1.00000 1.00000 0.99999 1.00003 0.99998 0.99997 1.00001 1.00000 1.00004 1.00000 0.99999 1.00000 1.00000 1.00002 0.99999 1.00001 1.00001 0.99999 1.00000 0.99995 1.00000 1.00001 1.00000 0.99997 1.00000 1.00000 0.99997 1.00001 1.00000 1.00001 1.00000 1.00000 1.00000 0.99999 0.99998 1.00000 1.00001 1.00001 1.00000 0.99997 1.00006 0.99999 0.99998 1.00001 0.99998 0.99998 1.00001 1.00003 0.99996 1.00001 1.00000 0.99998 1.00003 1.00000 1.00000 1.00001 0.99998 1.00000 1.00000 1.00000 1.00001 0.99998 0.99998 1.00003 1.00001 0.99999 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> 2602071245243314933.eigenfacs Openam> file on opening on unit 10: 2602071245243314933.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2602071245243314933.atom Openam> file on opening on unit 11: 2602071245243314933.atom Getnum> Number of skipped eigenvectors ? Getnum> 0 Getnum> Number of usefull eigenvectors ? Getnum> 10000 %Getnum-Err: number larger than 106 This is not allowed. Sorry. Rdatompdb> Reading pdb file. Rdatompdb> End of file reached. Rdatompdb> Number of I/O errors: 0 Rdatompdb> Number of residues found = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 1891 Mean number per residue = 7.9 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9898E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 4.986 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 5.928 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 7.076 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 7.428 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 9.164 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 10.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 10.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 11.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 12.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 13.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 14.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 14.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 15.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 16.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 17.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 17.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 18.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 19.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 20.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 20.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 21.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 23.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 24.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 25.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 26.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 26.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 27.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 27.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 28.36 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 30.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 30.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 31.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 32.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 33.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 33.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 34.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 35.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 36.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 37.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 38.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 38.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 39.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 39.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 41.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 41.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 42.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 43.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 43.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 44.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 44.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 46.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 47.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 47.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 49.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 50.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 51.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 52.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 53.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 54.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 54.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 55.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 56.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 56.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 57.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 58.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 58.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 59.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 60.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 60.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 61.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 62.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 63.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 64.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 65.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 65.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 67.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 67.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 67.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 69.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 69.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 70.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 72.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 72.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 72.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 74.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 75.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 75.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 76.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 77.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 77.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 78.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 79.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 79.56 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 80.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 81.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 81.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 83.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 83.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 84.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 85.63 Bfactors> 106 vectors, 5673 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 6 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 4.986000 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= -0.595 for 238 C-alpha atoms. Bfactors> = 0.021 +/- 0.02 Bfactors> = 97.818 +/- 3.04 Bfactors> Shiftng-fct= 97.798 Bfactors> Scaling-fct= 133.236 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602071245243314933.eigenfacs Openam> file on opening on unit 10: 2602071245243314933.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4321E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4357E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 242.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 264.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 288.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 295.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 328.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 345.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 352.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 364.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 381.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 395.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 408.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 415.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 433.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 442.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 458.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 459.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 471.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 478.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 490.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 495.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 502.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 521.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 532.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 547.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 553.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 561.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 569.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 573.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 578.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 597.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 599.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 610.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 616.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 630.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 631.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 640.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 646.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 660.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 663.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 672.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 674.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 681.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 685.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 695.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 699.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 708.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 713.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 720.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 723.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 724.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 741.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 746.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 749.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 762.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 768.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 779.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 786.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 794.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 798.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 803.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 807.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 816.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 816.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 824.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 827.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 831.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 839.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 841.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 847.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 852.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 860.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 865.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 869.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 878.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 882.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 889.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 891.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 893.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 904.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 905.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 912.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 923.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 925.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 927.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 938.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 943.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 944.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 948.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 955.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 958.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 961.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 965.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 968.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 975.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 981.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 982.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 989.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 992.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 995.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1005. Chkmod> 106 vectors, 5673 coordinates in file. Chkmod> That is: 1891 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 7 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 59 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 80 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7218 0.0034 0.8401 0.0034 0.7856 0.0034 0.9754 0.0034 0.6959 0.0034 0.7713 242.4671 0.4132 264.3813 0.4326 288.8488 0.0145 295.9461 0.1470 328.7147 0.2412 345.7766 0.3443 352.6979 0.1809 364.8578 0.0680 381.1378 0.2233 395.5598 0.2698 408.6093 0.1895 415.4772 0.3649 433.1235 0.2770 442.9486 0.4679 458.1278 0.4292 459.9259 0.1158 471.0711 0.5886 478.3981 0.3004 490.9272 0.2593 495.5886 0.5787 501.9713 0.3160 521.1030 0.3151 532.1856 0.2398 547.2597 0.3981 553.7922 0.0797 561.5098 0.3144 569.7440 0.2921 573.1485 0.4319 578.2688 0.4339 597.8189 0.5664 599.0995 0.4815 610.2147 0.4081 616.4627 0.4139 630.8317 0.2789 631.4856 0.3864 640.9375 0.4077 645.9768 0.3896 660.0607 0.3348 663.3572 0.1728 672.0982 0.5016 674.8120 0.3319 681.6789 0.3317 685.0435 0.4478 695.8874 0.4112 699.6052 0.4713 708.5646 0.1896 712.9608 0.3567 720.0371 0.3633 723.8751 0.4939 724.5264 0.4630 741.0197 0.3956 746.5681 0.3924 749.0121 0.3672 761.9661 0.4573 768.6681 0.3444 779.4075 0.5120 786.7105 0.3583 794.6143 0.3708 798.1676 0.3428 803.2481 0.3100 807.8588 0.3570 816.0636 0.4477 816.7135 0.4339 824.4012 0.2519 827.7555 0.3327 831.3090 0.4132 839.2846 0.4573 841.3893 0.2744 846.9763 0.4041 852.1116 0.3369 860.8536 0.3294 865.4299 0.3544 869.8466 0.3957 878.6134 0.3856 882.0289 0.4415 889.4835 0.3508 891.0728 0.4023 892.9895 0.4101 904.0128 0.3383 904.9905 0.4596 912.1929 0.2928 922.9870 0.4125 925.6021 0.3917 927.5110 0.4468 938.1288 0.5284 943.2679 0.4356 944.2673 0.4175 948.5034 0.4541 955.1310 0.3747 958.0277 0.4607 961.7129 0.4740 965.6893 0.3244 968.5544 0.4680 975.5293 0.4513 981.3138 0.4810 982.8146 0.4647 989.9272 0.4524 992.4254 0.3494 995.4505 0.5232 1004.8231 0.4005 getting mode 7 running: ../../bin/get_modes.sh 2602071245243314933 7 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.7.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 2602071245243314933.7.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 2602071245243314933.7.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 2602071245243314933 8 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.8.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 2602071245243314933.8.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 2602071245243314933.8.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 2602071245243314933 9 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.9.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 2602071245243314933.9.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 2602071245243314933.9.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 2602071245243314933 10 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.10.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 2602071245243314933.10.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 2602071245243314933.10.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 2602071245243314933 11 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.11.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 2602071245243314933.11.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 2602071245243314933.11.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 2602071245243314933 12 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.12.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 2602071245243314933.12.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 2602071245243314933.12.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 2602071245243314933 13 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.13.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 2602071245243314933.13.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 2602071245243314933.13.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 2602071245243314933 14 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.14.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 2602071245243314933.14.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 2602071245243314933.14.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 2602071245243314933 15 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.15.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 2602071245243314933.15.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 2602071245243314933.15.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 2602071245243314933 16 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.16.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 2602071245243314933.16.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 2602071245243314933.16.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 2602071245243314933 17 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.17.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 2602071245243314933.17.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 2602071245243314933.17.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 2602071245243314933 18 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.18.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 2602071245243314933.18.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 2602071245243314933.18.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 2602071245243314933 19 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.19.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 2602071245243314933.19.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 2602071245243314933.19.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 2602071245243314933 20 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.20.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 2602071245243314933.20.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 2602071245243314933.20.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 2602071245243314933 21 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.21.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 2602071245243314933.21.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 2602071245243314933.21.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 2602071245243314933 22 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.22.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 2602071245243314933.22.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 2602071245243314933.22.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 2602071245243314933 23 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.23.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 2602071245243314933.23.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 2602071245243314933.23.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 2602071245243314933 24 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.24.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 2602071245243314933.24.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 2602071245243314933.24.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 2602071245243314933 25 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.25.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 2602071245243314933.25.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 2602071245243314933.25.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 2602071245243314933 26 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.26.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 2602071245243314933.26.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 2602071245243314933.26.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 2602071245243314933 27 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.27.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 2602071245243314933.27.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 2602071245243314933.27.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 2602071245243314933 28 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.28.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 2602071245243314933.28.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 2602071245243314933.28.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 2602071245243314933 29 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.29.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 2602071245243314933.29.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 2602071245243314933.29.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 2602071245243314933 30 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.30.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 2602071245243314933.30.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 2602071245243314933.30.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 2602071245243314933 31 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=-50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=0 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=50 2602071245243314933.eigenfacs 2602071245243314933.atom calculating perturbed structure for DQ=100 2602071245243314933.eigenfacs 2602071245243314933.atom making animated gifs 5 models are in 2602071245243314933.31.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 2602071245243314933.31.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 2602071245243314933.31.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 2602071245243314933.10.pdb 2602071245243314933.11.pdb 2602071245243314933.12.pdb 2602071245243314933.13.pdb 2602071245243314933.14.pdb 2602071245243314933.15.pdb 2602071245243314933.16.pdb 2602071245243314933.17.pdb 2602071245243314933.18.pdb 2602071245243314933.19.pdb 2602071245243314933.20.pdb 2602071245243314933.21.pdb 2602071245243314933.22.pdb 2602071245243314933.23.pdb 2602071245243314933.24.pdb 2602071245243314933.25.pdb 2602071245243314933.26.pdb 2602071245243314933.27.pdb 2602071245243314933.28.pdb 2602071245243314933.29.pdb 2602071245243314933.30.pdb 2602071245243314933.31.pdb 2602071245243314933.7.pdb 2602071245243314933.8.pdb 2602071245243314933.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m7.526s user 0m7.473s sys 0m0.051s rm: cannot remove '2602071245243314933.sdijf': No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: 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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: 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elNémo is maintained by Yves-Henri Sanejouand.
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Last modification: december 26th, 2025.