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 WT  ***

LOGs for ID: 2602060506152857763

Output from eigenvector calculation:


STDOUT:
Build Tirion matrix: Pdbmat> Computes the Hessian matrix, using an Elastic Network Model. Pdbmat> Version 3.50, Fevrier 2004. Pdbmat> Options to be read in pdbmat.dat file. Pdbmat> Coordinate filename = 2602060506152857763.atom Pdbmat> Distance cutoff = 15.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2602060506152857763.atom to be opened. Openam> File opened: 2602060506152857763.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 = 1888 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = -1.041942 +/- 10.001004 From: -25.686000 To: 21.960000 = -0.076352 +/- 9.261963 From: -19.499000 To: 21.070000 = -0.495512 +/- 10.023891 From: -27.224000 To: 21.952000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 21.6280 % Filled. Pdbmat> 3469847 non-zero elements. Pdbmat> 384311 atom-atom interactions. Pdbmat> Number per atom= 407.11 +/- 141.88 Maximum number = 736 Minimum number = 80 Pdbmat> Matrix trace = 7.686220E+06 Pdbmat> Larger element = 2578.13 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 = 2602060506152857763.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 2602060506152857763.atom to be opened. Openam> file on opening on unit 11: 2602060506152857763.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1888 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> 17 atoms in block 32 Block first atom: 478 Blocpdb> 15 atoms in block 33 Block first atom: 495 Blocpdb> 17 atoms in block 34 Block first atom: 510 Blocpdb> 17 atoms in block 35 Block first atom: 527 Blocpdb> 13 atoms in block 36 Block first atom: 544 Blocpdb> 22 atoms in block 37 Block first atom: 557 Blocpdb> 11 atoms in block 38 Block first atom: 579 Blocpdb> 18 atoms in block 39 Block first atom: 590 Blocpdb> 16 atoms in block 40 Block first atom: 608 Blocpdb> 18 atoms in block 41 Block first atom: 624 Blocpdb> 17 atoms in block 42 Block first atom: 642 Blocpdb> 21 atoms in block 43 Block first atom: 659 Blocpdb> 13 atoms in block 44 Block first atom: 680 Blocpdb> 15 atoms in block 45 Block first atom: 693 Blocpdb> 16 atoms in block 46 Block first atom: 708 Blocpdb> 16 atoms in block 47 Block first atom: 724 Blocpdb> 13 atoms in block 48 Block first atom: 740 Blocpdb> 17 atoms in block 49 Block first atom: 753 Blocpdb> 17 atoms in block 50 Block first atom: 770 Blocpdb> 14 atoms in block 51 Block first atom: 787 Blocpdb> 15 atoms in block 52 Block first atom: 801 Blocpdb> 19 atoms in block 53 Block first atom: 816 Blocpdb> 14 atoms in block 54 Block first atom: 835 Blocpdb> 20 atoms in block 55 Block first atom: 849 Blocpdb> 15 atoms in block 56 Block first atom: 869 Blocpdb> 14 atoms in block 57 Block first atom: 884 Blocpdb> 13 atoms in block 58 Block first atom: 898 Blocpdb> 13 atoms in block 59 Block first atom: 911 Blocpdb> 19 atoms in block 60 Block first atom: 924 Blocpdb> 15 atoms in block 61 Block first atom: 943 Blocpdb> 20 atoms in block 62 Block first atom: 958 Blocpdb> 15 atoms in block 63 Block first atom: 978 Blocpdb> 20 atoms in block 64 Block first atom: 993 Blocpdb> 14 atoms in block 65 Block first atom: 1013 Blocpdb> 18 atoms in block 66 Block first atom: 1027 Blocpdb> 16 atoms in block 67 Block first atom: 1045 Blocpdb> 20 atoms in block 68 Block first atom: 1061 Blocpdb> 19 atoms in block 69 Block first atom: 1081 Blocpdb> 17 atoms in block 70 Block first atom: 1100 Blocpdb> 17 atoms in block 71 Block first atom: 1117 Blocpdb> 15 atoms in block 72 Block first atom: 1134 Blocpdb> 17 atoms in block 73 Block first atom: 1149 Blocpdb> 14 atoms in block 74 Block first atom: 1166 Blocpdb> 17 atoms in block 75 Block first atom: 1180 Blocpdb> 15 atoms in block 76 Block first atom: 1197 Blocpdb> 14 atoms in block 77 Block first atom: 1212 Blocpdb> 17 atoms in block 78 Block first atom: 1226 Blocpdb> 15 atoms in block 79 Block first atom: 1243 Blocpdb> 18 atoms in block 80 Block first atom: 1258 Blocpdb> 23 atoms in block 81 Block first atom: 1276 Blocpdb> 15 atoms in block 82 Block first atom: 1299 Blocpdb> 19 atoms in block 83 Block first atom: 1314 Blocpdb> 15 atoms in block 84 Block first atom: 1333 Blocpdb> 19 atoms in block 85 Block first atom: 1348 Blocpdb> 16 atoms in block 86 Block first atom: 1367 Blocpdb> 11 atoms in block 87 Block first atom: 1383 Blocpdb> 16 atoms in block 88 Block first atom: 1394 Blocpdb> 20 atoms in block 89 Block first atom: 1410 Blocpdb> 8 atoms in block 90 Block first atom: 1430 Blocpdb> 17 atoms in block 91 Block first atom: 1438 Blocpdb> 11 atoms in block 92 Block first atom: 1455 Blocpdb> 13 atoms in block 93 Block first atom: 1466 Blocpdb> 14 atoms in block 94 Block first atom: 1479 Blocpdb> 8 atoms in block 95 Block first atom: 1493 Blocpdb> 15 atoms in block 96 Block first atom: 1501 Blocpdb> 12 atoms in block 97 Block first atom: 1516 Blocpdb> 19 atoms in block 98 Block first atom: 1528 Blocpdb> 17 atoms in block 99 Block first atom: 1547 Blocpdb> 21 atoms in block 100 Block first atom: 1564 Blocpdb> 18 atoms in block 101 Block first atom: 1585 Blocpdb> 11 atoms in block 102 Block first atom: 1603 Blocpdb> 15 atoms in block 103 Block first atom: 1614 Blocpdb> 20 atoms in block 104 Block first atom: 1629 Blocpdb> 13 atoms in block 105 Block first atom: 1649 Blocpdb> 10 atoms in block 106 Block first atom: 1662 Blocpdb> 14 atoms in block 107 Block first atom: 1672 Blocpdb> 20 atoms in block 108 Block first atom: 1686 Blocpdb> 18 atoms in block 109 Block first atom: 1706 Blocpdb> 11 atoms in block 110 Block first atom: 1724 Blocpdb> 19 atoms in block 111 Block first atom: 1735 Blocpdb> 15 atoms in block 112 Block first atom: 1754 Blocpdb> 16 atoms in block 113 Block first atom: 1769 Blocpdb> 19 atoms in block 114 Block first atom: 1785 Blocpdb> 22 atoms in block 115 Block first atom: 1804 Blocpdb> 16 atoms in block 116 Block first atom: 1826 Blocpdb> 18 atoms in block 117 Block first atom: 1842 Blocpdb> 16 atoms in block 118 Block first atom: 1860 Blocpdb> 13 atoms in block 119 Block first atom: 1875 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> 3469966 matrix lines read. Prepmat> Matrix order = 5664 Prepmat> Matrix trace = 7686220.0000 Prepmat> Last element read: 5664 5664 482.3726 Prepmat> 7141 lines saved. Prepmat> 3837 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: 1888 RTB> Total mass = 1888.0000 RTB> Number of atoms found in matrix: 1888 RTB> Number of blocks = 119 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 946424.9995 RTB> 117123 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: 117123 Diagstd> Projected matrix trace = 946424.9995 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 = 946424.9995 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000 Diagstd> Selected eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 93.0121025 103.9389705 114.2546889 148.1871418 157.9576340 191.1653602 202.4565377 204.0963797 231.4113272 234.2268090 237.7044975 259.9849103 268.7160519 275.0949382 278.0546136 293.8889155 297.9109015 307.6900745 314.7951327 318.2257038 323.5642478 328.2563769 333.5025622 344.8482495 348.1480972 354.8660634 365.8855254 369.1942680 375.6445673 377.4110562 381.9560261 386.8605957 393.1601740 408.3055728 410.2923726 419.3531084 421.9023979 426.7703789 430.8946136 437.4491848 442.0786223 451.1238121 457.5467950 459.7312036 461.5968206 471.4334312 483.2569953 484.4526107 485.9042508 492.5312546 497.6873509 500.3866632 504.8387744 514.5484391 518.6573008 527.5090076 531.3201732 535.8039662 541.9433290 549.5455256 556.4435479 558.0951349 565.1723840 572.5300640 576.5828850 579.3277114 584.7030380 589.7730147 598.2204649 608.6908013 612.1984564 615.2821528 616.7783579 625.3197210 626.3963570 636.8804893 639.7217501 640.9367290 648.8448905 653.4992363 657.2723748 660.1268753 663.7722304 667.2993858 671.6623848 675.4053995 678.4147945 685.8886686 688.6637932 689.4237457 695.4671696 697.3550824 700.5058606 704.3530702 709.2017795 715.8098349 719.4432232 721.9128320 726.4262051 728.2769387 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034125 0.0034256 0.0034274 0.0034314 0.0034318 0.0034395 1047.2853081 1107.0939710 1160.7329052 1321.9059005 1364.7892412 1501.4119908 1545.1163317 1551.3612196 1651.9145819 1661.9332669 1674.2256055 1750.9322874 1780.0905117 1801.0948313 1810.7576682 1861.6021994 1874.2972937 1904.8115849 1926.6786488 1937.1484711 1953.3296591 1967.4416732 1983.1011559 2016.5513857 2026.1765895 2045.6320279 2077.1501663 2086.5209761 2104.6691557 2109.6120115 2122.2764916 2135.8587505 2153.1785246 2194.2592308 2199.5913442 2223.7461723 2230.4951185 2243.3261274 2254.1396222 2271.2193839 2283.2056861 2306.4452828 2322.8065342 2328.3446747 2333.0641732 2357.7918854 2387.1755350 2390.1267397 2393.7050139 2409.9730037 2422.5546430 2429.1153772 2439.8977814 2463.2495539 2473.0649824 2494.0790837 2503.0725240 2513.6120074 2527.9717573 2545.6407730 2561.5676847 2565.3663784 2581.5809440 2598.3307239 2607.5110269 2613.7101942 2625.8079293 2637.1675850 2655.9868059 2679.1291494 2686.8374648 2693.5958806 2696.8689521 2715.4783400 2717.8150041 2740.4649542 2746.5710533 2749.1780013 2766.0862942 2775.9895214 2783.9919161 2790.0307344 2797.7236877 2805.1471164 2814.3026125 2822.1334374 2828.4137208 2843.9509009 2849.6984453 2851.2703578 2863.7400745 2867.6243897 2874.0953152 2881.9768388 2891.8794730 2905.3209170 2912.6851615 2917.6800175 2926.7864217 2930.5123723 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1888 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: 9.8751E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9516E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9621E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9853E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 9.9875E-10 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0033E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 93.01 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 103.9 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 114.3 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 148.2 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 158.0 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 191.2 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 202.5 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 204.1 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 231.4 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 234.2 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 237.7 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 260.0 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 268.7 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 275.1 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 278.1 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 293.9 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 297.9 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 307.7 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 314.8 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 318.2 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 323.6 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 328.3 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 333.5 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 344.8 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 348.1 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 354.9 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 365.9 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 369.2 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 375.6 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 377.4 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 382.0 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 386.9 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 393.2 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 408.3 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 410.3 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 419.4 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 421.9 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 426.8 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 430.9 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 437.4 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 442.1 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 451.1 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 457.5 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 459.7 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 461.6 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 471.4 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 483.3 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 484.5 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 485.9 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 492.5 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 497.7 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 500.4 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 504.8 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 514.5 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 518.7 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 527.5 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 531.3 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 535.8 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 541.9 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 549.5 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 556.4 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 558.1 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 565.2 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 572.5 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 576.6 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 579.3 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 584.7 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 589.8 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 598.2 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 608.7 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 612.2 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 615.3 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 616.8 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 625.3 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 626.4 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 636.9 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 639.7 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 640.9 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 648.8 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 653.5 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 657.3 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 660.1 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 663.8 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 667.3 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 671.7 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 675.4 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 678.4 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 685.9 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 688.7 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 689.4 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 695.5 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 697.4 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 700.5 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 704.4 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 709.2 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 715.8 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 719.4 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 721.9 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 726.4 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 728.3 Rtb_to_modes> 106 vectors, with 714 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00002 1.00000 1.00000 1.00002 0.99997 0.99998 1.00002 0.99999 0.99999 1.00000 0.99999 0.99998 1.00002 1.00002 1.00003 1.00000 0.99999 1.00001 1.00000 1.00002 1.00001 0.99999 0.99998 0.99998 0.99999 1.00000 1.00001 1.00002 0.99997 1.00002 1.00000 1.00003 0.99999 1.00001 0.99996 0.99997 1.00001 1.00004 0.99996 0.99996 0.99997 1.00002 1.00001 0.99999 1.00000 0.99999 0.99999 1.00004 0.99999 0.99997 0.99998 0.99999 1.00001 0.99997 1.00003 1.00002 0.99999 1.00000 0.99999 1.00001 1.00000 1.00004 0.99999 1.00003 1.00003 0.99998 1.00001 1.00000 0.99999 1.00000 1.00001 1.00000 0.99999 0.99999 0.99999 0.99999 1.00000 0.99999 0.99998 1.00002 1.00001 0.99998 0.99997 1.00002 0.99998 1.00003 1.00000 1.00002 0.99996 0.99998 1.00002 1.00003 1.00000 0.99999 0.99995 0.99999 1.00000 1.00001 0.99999 1.00004 1.00000 0.99999 0.99999 1.00005 0.99997 0.99996 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 33984 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00002 1.00000 1.00000 1.00002 0.99997 0.99998 1.00002 0.99999 0.99999 1.00000 0.99999 0.99998 1.00002 1.00002 1.00003 1.00000 0.99999 1.00001 1.00000 1.00002 1.00001 0.99999 0.99998 0.99998 0.99999 1.00000 1.00001 1.00002 0.99997 1.00002 1.00000 1.00003 0.99999 1.00001 0.99996 0.99997 1.00001 1.00004 0.99996 0.99996 0.99997 1.00002 1.00001 0.99999 1.00000 0.99999 0.99999 1.00004 0.99999 0.99997 0.99998 0.99999 1.00001 0.99997 1.00003 1.00002 0.99999 1.00000 0.99999 1.00001 1.00000 1.00004 0.99999 1.00003 1.00003 0.99998 1.00001 1.00000 0.99999 1.00000 1.00001 1.00000 0.99999 0.99999 0.99999 0.99999 1.00000 0.99999 0.99998 1.00002 1.00001 0.99998 0.99997 1.00002 0.99998 1.00003 1.00000 1.00002 0.99996 0.99998 1.00002 1.00003 1.00000 0.99999 0.99995 0.99999 1.00000 1.00001 0.99999 1.00004 1.00000 0.99999 0.99999 1.00005 0.99997 0.99996 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> 2602060506152857763.eigenfacs Openam> file on opening on unit 10: 2602060506152857763.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2602060506152857763.atom Openam> file on opening on unit 11: 2602060506152857763.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 = 1888 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: 9.8751E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9516E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9621E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9853E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9875E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 93.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 103.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 114.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 148.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 158.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 191.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 202.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 204.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 231.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 234.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 237.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 260.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 268.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 275.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 278.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 293.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 297.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 307.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 314.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 318.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 323.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 328.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 333.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 344.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 348.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 354.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 365.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 369.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 375.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 377.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 382.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 386.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 393.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 408.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 410.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 419.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 421.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 426.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 430.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 437.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 442.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 451.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 457.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 459.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 461.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 471.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 483.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 484.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 485.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 492.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 497.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 500.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 504.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 514.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 518.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 527.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 531.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 535.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 541.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 549.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 556.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 558.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 565.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 572.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 576.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 579.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 584.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 589.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 598.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 608.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 612.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 615.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 616.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 625.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 626.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 636.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 639.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 640.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 648.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 653.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 657.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 660.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 663.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 667.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 671.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 675.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 678.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 685.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 688.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 689.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 695.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 697.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 700.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 704.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 709.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 715.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 719.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 721.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 726.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 728.3 Bfactors> 106 vectors, 5664 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 6 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 93.010000 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= -0.612 for 238 C-alpha atoms. Bfactors> = 0.001 +/- 0.00 Bfactors> = 97.290 +/- 4.52 Bfactors> Shiftng-fct= 97.288 Bfactors> Scaling-fct= 1990.366 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602060506152857763.eigenfacs Openam> file on opening on unit 10: 2602060506152857763.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4123E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4255E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4273E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4313E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4317E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4395E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 1047. Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 1107. Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 1161. Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 1322. Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 1365. Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 1501. Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 1545. Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 1551. Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 1652. Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 1662. Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 1674. Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 1751. Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 1780. Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 1801. Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 1811. Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 1862. Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 1874. Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 1905. Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 1927. Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 1937. Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 1953. Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 1967. Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 1983. Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 2016. Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 2026. Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 2046. Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 2077. Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 2086. Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 2104. Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 2109. Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 2122. Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 2136. Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 2153. Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 2194. Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 2200. Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 2224. Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 2230. Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 2243. Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 2254. Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 2271. Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 2283. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 2306. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 2323. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 2328. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 2333. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 2358. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 2387. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 2390. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 2394. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 2410. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 2422. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 2429. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 2440. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 2463. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 2473. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 2494. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 2503. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 2513. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 2528. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 2545. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 2561. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 2565. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 2582. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 2598. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 2607. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 2614. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 2626. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 2637. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 2656. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 2679. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 2687. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 2694. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 2697. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 2715. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 2718. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 2740. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 2746. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 2749. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 2766. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 2776. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 2784. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 2790. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 2798. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 2805. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 2814. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 2822. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 2828. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 2844. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 2850. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 2851. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 2864. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 2868. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 2874. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 2882. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 2892. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 2905. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 2912. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 2918. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 2927. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 2930. Chkmod> 106 vectors, 5664 coordinates in file. Chkmod> That is: 1888 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 40 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 100 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 104 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 106 is: 0.9999 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.8270 0.0034 0.7626 0.0034 0.9234 0.0034 0.8246 0.0034 0.7222 0.0034 0.9132 1047.2285 0.0664 1106.8389 0.3365 1160.9132 0.2088 1321.9065 0.0436 1364.9137 0.3427 1501.4836 0.1653 1545.2158 0.3046 1551.3084 0.2970 1651.8032 0.1922 1661.7668 0.2119 1674.1379 0.0938 1750.9079 0.2411 1779.9609 0.0723 1801.0341 0.1238 1810.8277 0.1717 1861.5574 0.0824 1874.1825 0.2049 1904.7605 0.0482 1926.6108 0.1042 1936.9871 0.1161 1953.3537 0.3587 1967.4879 0.1600 1983.0084 0.1140 2016.3237 0.1554 2025.9497 0.2381 2045.6420 0.1732 2077.1021 0.1094 2086.4476 0.3163 2104.4540 0.1304 2109.4906 0.1733 2122.3075 0.1214 2135.8758 0.1037 2153.1951 0.2121 2194.1501 0.2049 2199.5174 0.2356 2223.7750 0.2859 2230.3930 0.1670 2243.3077 0.2297 2254.0569 0.1399 2270.9942 0.2844 2283.1629 0.1408 2306.2854 0.2300 2322.5880 0.2179 2328.1657 0.2381 2332.9721 0.1201 2357.6071 0.2057 2387.1793 0.1501 2390.1410 0.2842 2393.5918 0.1441 2409.7931 0.3002 2422.4814 0.1265 2429.0435 0.2097 2439.6993 0.2545 2463.0279 0.2342 2473.0606 0.1643 2493.9507 0.1244 2502.9176 0.1107 2513.4948 0.1997 2527.7622 0.1650 2545.4261 0.2309 2561.3575 0.1866 2565.2674 0.2368 2581.5332 0.2406 2598.1510 0.3046 2607.4378 0.2437 2613.5355 0.2418 2625.6884 0.2350 2637.1147 0.1334 2655.8274 0.0816 2679.0344 0.1806 2686.7255 0.1831 2693.5193 0.3297 2696.8005 0.2370 2715.3190 0.2714 2717.7062 0.1054 2740.3893 0.2526 2746.4065 0.3351 2748.9812 0.3199 2765.8719 0.1542 2775.8720 0.2534 2783.9309 0.0762 2789.8542 0.2588 2797.6621 0.1839 2805.0280 0.2121 2814.2606 0.1899 2822.0010 0.2236 2828.2615 0.1940 2843.8523 0.2187 2849.6510 0.2543 2851.0989 0.2168 2863.6847 0.2204 2867.5936 0.3062 2873.9599 0.2434 2881.9491 0.2481 2891.7517 0.2383 2905.1762 0.1482 2912.4726 0.2310 2917.5288 0.2119 2926.6080 0.1998 2930.4330 0.1972 getting mode 7 running: ../../bin/get_modes.sh 2602060506152857763 7 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.7.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 2602060506152857763.7.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 2602060506152857763.7.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 2602060506152857763 8 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.8.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 2602060506152857763.8.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 2602060506152857763.8.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 2602060506152857763 9 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.9.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 2602060506152857763.9.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 2602060506152857763.9.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 2602060506152857763 10 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.10.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 2602060506152857763.10.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 2602060506152857763.10.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 2602060506152857763 11 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.11.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 2602060506152857763.11.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 2602060506152857763.11.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 2602060506152857763 12 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.12.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 2602060506152857763.12.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 2602060506152857763.12.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 2602060506152857763 13 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.13.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 2602060506152857763.13.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 2602060506152857763.13.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 2602060506152857763 14 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.14.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 2602060506152857763.14.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 2602060506152857763.14.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 2602060506152857763 15 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.15.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 2602060506152857763.15.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 2602060506152857763.15.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 2602060506152857763 16 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.16.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 2602060506152857763.16.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 2602060506152857763.16.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 2602060506152857763 17 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.17.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 2602060506152857763.17.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 2602060506152857763.17.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 2602060506152857763 18 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.18.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 2602060506152857763.18.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 2602060506152857763.18.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 2602060506152857763 19 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.19.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 2602060506152857763.19.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 2602060506152857763.19.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 2602060506152857763 20 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.20.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 2602060506152857763.20.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 2602060506152857763.20.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 2602060506152857763 21 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.21.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 2602060506152857763.21.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 2602060506152857763.21.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 2602060506152857763 22 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.22.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 2602060506152857763.22.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 2602060506152857763.22.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 2602060506152857763 23 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.23.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 2602060506152857763.23.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 2602060506152857763.23.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 2602060506152857763 24 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.24.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 2602060506152857763.24.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 2602060506152857763.24.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 2602060506152857763 25 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.25.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 2602060506152857763.25.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 2602060506152857763.25.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 2602060506152857763 26 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.26.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 2602060506152857763.26.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 2602060506152857763.26.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 2602060506152857763 27 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.27.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 2602060506152857763.27.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 2602060506152857763.27.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 2602060506152857763 28 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.28.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 2602060506152857763.28.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 2602060506152857763.28.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 2602060506152857763 29 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.29.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 2602060506152857763.29.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 2602060506152857763.29.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 2602060506152857763 30 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.30.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 2602060506152857763.30.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 2602060506152857763.30.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 2602060506152857763 31 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=-50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=0 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=50 2602060506152857763.eigenfacs 2602060506152857763.atom calculating perturbed structure for DQ=100 2602060506152857763.eigenfacs 2602060506152857763.atom making animated gifs 5 models are in 2602060506152857763.31.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 2602060506152857763.31.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 2602060506152857763.31.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 2602060506152857763.10.pdb 2602060506152857763.11.pdb 2602060506152857763.12.pdb 2602060506152857763.13.pdb 2602060506152857763.14.pdb 2602060506152857763.15.pdb 2602060506152857763.16.pdb 2602060506152857763.17.pdb 2602060506152857763.18.pdb 2602060506152857763.19.pdb 2602060506152857763.20.pdb 2602060506152857763.21.pdb 2602060506152857763.22.pdb 2602060506152857763.23.pdb 2602060506152857763.24.pdb 2602060506152857763.25.pdb 2602060506152857763.26.pdb 2602060506152857763.27.pdb 2602060506152857763.28.pdb 2602060506152857763.29.pdb 2602060506152857763.30.pdb 2602060506152857763.31.pdb 2602060506152857763.7.pdb 2602060506152857763.8.pdb 2602060506152857763.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m6.628s user 0m6.506s sys 0m0.120s rm: cannot remove '2602060506152857763.sdijf': No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: 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ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: 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Last modification: december 26th, 2025.