CNRS Nantes University US2B US2B
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***  r191c  ***

LOGs for ID: 240323151426237850

output from eigenvector calculation:


STDOUT:
CUTOFF set to default value (CUTOFF=8) Build Tirion matrix: Pdbmat> Computes the Hessian matrix, using an Elastic Network Model. Pdbmat> Version 3.50, Fevrier 2004. Pdbmat> Options to be read in pdbmat.dat file. Pdbmat> Coordinate filename = 240323151426237850.atom Pdbmat> Distance cutoff = 8.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 240323151426237850.atom to be opened. Openam> File opened: 240323151426237850.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 = 1350 First residue number = 1 Last residue number = 675 Number of atoms found = 10464 Mean number per residue = 7.8 Pdbmat> Coordinate statistics: = -1.050214 +/- 22.266216 From: -51.188000 To: 53.812000 = 6.537320 +/- 27.406112 From: -59.250000 To: 71.938000 = 2.916113 +/- 18.609005 From: -59.094000 To: 62.531000 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 0.7691 % Filled. Pdbmat> 3789753 non-zero elements. Pdbmat> 414971 atom-atom interactions. Pdbmat> Number per atom= 79.31 +/- 22.85 Maximum number = 128 Minimum number = 8 Pdbmat> Matrix trace = 8.299420E+06 Pdbmat> Larger element = 500.119 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1350 non-zero elements, NRBL set to 7 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 = 240323151426237850.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 7 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 240323151426237850.atom to be opened. Openam> file on opening on unit 11: 240323151426237850.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 10464 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 7 residue(s) per block. Blocpdb> 1350 residues. Blocpdb> 44 atoms in block 1 Block first atom: 1 Blocpdb> 55 atoms in block 2 Block first atom: 45 Blocpdb> 59 atoms in block 3 Block first atom: 100 Blocpdb> 57 atoms in block 4 Block first atom: 159 Blocpdb> 60 atoms in block 5 Block first atom: 216 Blocpdb> 54 atoms in block 6 Block first atom: 276 Blocpdb> 62 atoms in block 7 Block first atom: 330 Blocpdb> 55 atoms in block 8 Block first atom: 392 Blocpdb> 49 atoms in block 9 Block first atom: 447 Blocpdb> 55 atoms in block 10 Block first atom: 496 Blocpdb> 55 atoms in block 11 Block first atom: 551 Blocpdb> 56 atoms in block 12 Block first atom: 606 Blocpdb> 47 atoms in block 13 Block first atom: 662 Blocpdb> 59 atoms in block 14 Block first atom: 709 Blocpdb> 50 atoms in block 15 Block first atom: 768 Blocpdb> 58 atoms in block 16 Block first atom: 818 Blocpdb> 56 atoms in block 17 Block first atom: 876 Blocpdb> 59 atoms in block 18 Block first atom: 932 Blocpdb> 67 atoms in block 19 Block first atom: 991 Blocpdb> 58 atoms in block 20 Block first atom: 1058 Blocpdb> 65 atoms in block 21 Block first atom: 1116 Blocpdb> 64 atoms in block 22 Block first atom: 1181 Blocpdb> 59 atoms in block 23 Block first atom: 1245 Blocpdb> 56 atoms in block 24 Block first atom: 1304 Blocpdb> 59 atoms in block 25 Block first atom: 1360 Blocpdb> 50 atoms in block 26 Block first atom: 1419 Blocpdb> 60 atoms in block 27 Block first atom: 1469 Blocpdb> 53 atoms in block 28 Block first atom: 1529 Blocpdb> 57 atoms in block 29 Block first atom: 1582 Blocpdb> 37 atoms in block 30 Block first atom: 1639 Blocpdb> 56 atoms in block 31 Block first atom: 1676 Blocpdb> 60 atoms in block 32 Block first atom: 1732 Blocpdb> 55 atoms in block 33 Block first atom: 1792 Blocpdb> 62 atoms in block 34 Block first atom: 1847 Blocpdb> 51 atoms in block 35 Block first atom: 1909 Blocpdb> 56 atoms in block 36 Block first atom: 1960 Blocpdb> 54 atoms in block 37 Block first atom: 2016 Blocpdb> 54 atoms in block 38 Block first atom: 2070 Blocpdb> 59 atoms in block 39 Block first atom: 2124 Blocpdb> 59 atoms in block 40 Block first atom: 2183 Blocpdb> 56 atoms in block 41 Block first atom: 2242 Blocpdb> 54 atoms in block 42 Block first atom: 2298 Blocpdb> 52 atoms in block 43 Block first atom: 2352 Blocpdb> 53 atoms in block 44 Block first atom: 2404 Blocpdb> 53 atoms in block 45 Block first atom: 2457 Blocpdb> 52 atoms in block 46 Block first atom: 2510 Blocpdb> 49 atoms in block 47 Block first atom: 2562 Blocpdb> 56 atoms in block 48 Block first atom: 2611 Blocpdb> 37 atoms in block 49 Block first atom: 2667 Blocpdb> 54 atoms in block 50 Block first atom: 2704 Blocpdb> 59 atoms in block 51 Block first atom: 2758 Blocpdb> 51 atoms in block 52 Block first atom: 2817 Blocpdb> 59 atoms in block 53 Block first atom: 2868 Blocpdb> 59 atoms in block 54 Block first atom: 2927 Blocpdb> 65 atoms in block 55 Block first atom: 2986 Blocpdb> 61 atoms in block 56 Block first atom: 3051 Blocpdb> 52 atoms in block 57 Block first atom: 3112 Blocpdb> 46 atoms in block 58 Block first atom: 3164 Blocpdb> 55 atoms in block 59 Block first atom: 3210 Blocpdb> 65 atoms in block 60 Block first atom: 3265 Blocpdb> 51 atoms in block 61 Block first atom: 3330 Blocpdb> 48 atoms in block 62 Block first atom: 3381 Blocpdb> 33 atoms in block 63 Block first atom: 3429 Blocpdb> 57 atoms in block 64 Block first atom: 3462 Blocpdb> 60 atoms in block 65 Block first atom: 3519 Blocpdb> 50 atoms in block 66 Block first atom: 3579 Blocpdb> 49 atoms in block 67 Block first atom: 3629 Blocpdb> 52 atoms in block 68 Block first atom: 3678 Blocpdb> 58 atoms in block 69 Block first atom: 3730 Blocpdb> 49 atoms in block 70 Block first atom: 3788 Blocpdb> 59 atoms in block 71 Block first atom: 3837 Blocpdb> 61 atoms in block 72 Block first atom: 3896 Blocpdb> 53 atoms in block 73 Block first atom: 3957 Blocpdb> 50 atoms in block 74 Block first atom: 4010 Blocpdb> 47 atoms in block 75 Block first atom: 4060 Blocpdb> 39 atoms in block 76 Block first atom: 4107 Blocpdb> 45 atoms in block 77 Block first atom: 4146 Blocpdb> 51 atoms in block 78 Block first atom: 4191 Blocpdb> 56 atoms in block 79 Block first atom: 4242 Blocpdb> 50 atoms in block 80 Block first atom: 4298 Blocpdb> 55 atoms in block 81 Block first atom: 4348 Blocpdb> 58 atoms in block 82 Block first atom: 4403 Blocpdb> 56 atoms in block 83 Block first atom: 4461 Blocpdb> 54 atoms in block 84 Block first atom: 4517 Blocpdb> 50 atoms in block 85 Block first atom: 4571 Blocpdb> 59 atoms in block 86 Block first atom: 4621 Blocpdb> 73 atoms in block 87 Block first atom: 4680 Blocpdb> 50 atoms in block 88 Block first atom: 4753 Blocpdb> 48 atoms in block 89 Block first atom: 4803 Blocpdb> 57 atoms in block 90 Block first atom: 4851 Blocpdb> 52 atoms in block 91 Block first atom: 4908 Blocpdb> 49 atoms in block 92 Block first atom: 4960 Blocpdb> 49 atoms in block 93 Block first atom: 5009 Blocpdb> 60 atoms in block 94 Block first atom: 5058 Blocpdb> 55 atoms in block 95 Block first atom: 5118 Blocpdb> 45 atoms in block 96 Block first atom: 5173 Blocpdb> 15 atoms in block 97 Block first atom: 5218 Blocpdb> 44 atoms in block 98 Block first atom: 5233 Blocpdb> 55 atoms in block 99 Block first atom: 5277 Blocpdb> 59 atoms in block 100 Block first atom: 5332 Blocpdb> 57 atoms in block 101 Block first atom: 5391 Blocpdb> 60 atoms in block 102 Block first atom: 5448 Blocpdb> 54 atoms in block 103 Block first atom: 5508 Blocpdb> 62 atoms in block 104 Block first atom: 5562 Blocpdb> 55 atoms in block 105 Block first atom: 5624 Blocpdb> 49 atoms in block 106 Block first atom: 5679 Blocpdb> 55 atoms in block 107 Block first atom: 5728 Blocpdb> 55 atoms in block 108 Block first atom: 5783 Blocpdb> 56 atoms in block 109 Block first atom: 5838 Blocpdb> 47 atoms in block 110 Block first atom: 5894 Blocpdb> 59 atoms in block 111 Block first atom: 5941 Blocpdb> 50 atoms in block 112 Block first atom: 6000 Blocpdb> 58 atoms in block 113 Block first atom: 6050 Blocpdb> 56 atoms in block 114 Block first atom: 6108 Blocpdb> 59 atoms in block 115 Block first atom: 6164 Blocpdb> 67 atoms in block 116 Block first atom: 6223 Blocpdb> 58 atoms in block 117 Block first atom: 6290 Blocpdb> 65 atoms in block 118 Block first atom: 6348 Blocpdb> 64 atoms in block 119 Block first atom: 6413 Blocpdb> 59 atoms in block 120 Block first atom: 6477 Blocpdb> 56 atoms in block 121 Block first atom: 6536 Blocpdb> 59 atoms in block 122 Block first atom: 6592 Blocpdb> 50 atoms in block 123 Block first atom: 6651 Blocpdb> 60 atoms in block 124 Block first atom: 6701 Blocpdb> 53 atoms in block 125 Block first atom: 6761 Blocpdb> 57 atoms in block 126 Block first atom: 6814 Blocpdb> 37 atoms in block 127 Block first atom: 6871 Blocpdb> 56 atoms in block 128 Block first atom: 6908 Blocpdb> 60 atoms in block 129 Block first atom: 6964 Blocpdb> 55 atoms in block 130 Block first atom: 7024 Blocpdb> 62 atoms in block 131 Block first atom: 7079 Blocpdb> 51 atoms in block 132 Block first atom: 7141 Blocpdb> 56 atoms in block 133 Block first atom: 7192 Blocpdb> 54 atoms in block 134 Block first atom: 7248 Blocpdb> 54 atoms in block 135 Block first atom: 7302 Blocpdb> 59 atoms in block 136 Block first atom: 7356 Blocpdb> 59 atoms in block 137 Block first atom: 7415 Blocpdb> 56 atoms in block 138 Block first atom: 7474 Blocpdb> 54 atoms in block 139 Block first atom: 7530 Blocpdb> 52 atoms in block 140 Block first atom: 7584 Blocpdb> 53 atoms in block 141 Block first atom: 7636 Blocpdb> 53 atoms in block 142 Block first atom: 7689 Blocpdb> 52 atoms in block 143 Block first atom: 7742 Blocpdb> 49 atoms in block 144 Block first atom: 7794 Blocpdb> 56 atoms in block 145 Block first atom: 7843 Blocpdb> 37 atoms in block 146 Block first atom: 7899 Blocpdb> 54 atoms in block 147 Block first atom: 7936 Blocpdb> 59 atoms in block 148 Block first atom: 7990 Blocpdb> 51 atoms in block 149 Block first atom: 8049 Blocpdb> 59 atoms in block 150 Block first atom: 8100 Blocpdb> 59 atoms in block 151 Block first atom: 8159 Blocpdb> 65 atoms in block 152 Block first atom: 8218 Blocpdb> 61 atoms in block 153 Block first atom: 8283 Blocpdb> 52 atoms in block 154 Block first atom: 8344 Blocpdb> 46 atoms in block 155 Block first atom: 8396 Blocpdb> 55 atoms in block 156 Block first atom: 8442 Blocpdb> 65 atoms in block 157 Block first atom: 8497 Blocpdb> 51 atoms in block 158 Block first atom: 8562 Blocpdb> 48 atoms in block 159 Block first atom: 8613 Blocpdb> 33 atoms in block 160 Block first atom: 8661 Blocpdb> 57 atoms in block 161 Block first atom: 8694 Blocpdb> 60 atoms in block 162 Block first atom: 8751 Blocpdb> 50 atoms in block 163 Block first atom: 8811 Blocpdb> 49 atoms in block 164 Block first atom: 8861 Blocpdb> 52 atoms in block 165 Block first atom: 8910 Blocpdb> 58 atoms in block 166 Block first atom: 8962 Blocpdb> 49 atoms in block 167 Block first atom: 9020 Blocpdb> 59 atoms in block 168 Block first atom: 9069 Blocpdb> 61 atoms in block 169 Block first atom: 9128 Blocpdb> 53 atoms in block 170 Block first atom: 9189 Blocpdb> 50 atoms in block 171 Block first atom: 9242 Blocpdb> 47 atoms in block 172 Block first atom: 9292 Blocpdb> 39 atoms in block 173 Block first atom: 9339 Blocpdb> 45 atoms in block 174 Block first atom: 9378 Blocpdb> 51 atoms in block 175 Block first atom: 9423 Blocpdb> 56 atoms in block 176 Block first atom: 9474 Blocpdb> 50 atoms in block 177 Block first atom: 9530 Blocpdb> 55 atoms in block 178 Block first atom: 9580 Blocpdb> 58 atoms in block 179 Block first atom: 9635 Blocpdb> 56 atoms in block 180 Block first atom: 9693 Blocpdb> 54 atoms in block 181 Block first atom: 9749 Blocpdb> 50 atoms in block 182 Block first atom: 9803 Blocpdb> 59 atoms in block 183 Block first atom: 9853 Blocpdb> 73 atoms in block 184 Block first atom: 9912 Blocpdb> 50 atoms in block 185 Block first atom: 9985 Blocpdb> 48 atoms in block 186 Block first atom: 10035 Blocpdb> 57 atoms in block 187 Block first atom: 10083 Blocpdb> 52 atoms in block 188 Block first atom: 10140 Blocpdb> 49 atoms in block 189 Block first atom: 10192 Blocpdb> 49 atoms in block 190 Block first atom: 10241 Blocpdb> 60 atoms in block 191 Block first atom: 10290 Blocpdb> 55 atoms in block 192 Block first atom: 10350 Blocpdb> 45 atoms in block 193 Block first atom: 10405 Blocpdb> 15 atoms in block 194 Block first atom: 10449 Blocpdb> 194 blocks. Blocpdb> At most, 73 atoms in each of them. Blocpdb> At least, 15 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> 3789947 matrix lines read. Prepmat> Matrix order = 31392 Prepmat> Matrix trace = 8299420.0000 Prepmat> Last element read: 31392 31392 76.8225 Prepmat> 18916 lines saved. Prepmat> 17504 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: 10464 RTB> Total mass = 10464.0000 RTB> Number of atoms found in matrix: 10464 RTB> Number of blocks = 194 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 184269.6741 RTB> 47886 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 = 1164 Diagstd> Nb of non-zero elements: 47886 Diagstd> Projected matrix trace = 184269.6741 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1164 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 184269.6741 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 0.0270189 0.0345605 0.0530394 0.0629450 0.0748369 0.1050524 0.1601101 0.2612710 0.3167972 0.3796703 0.4365871 0.7953955 0.8051334 0.9101145 0.9904008 1.1124054 1.2488449 1.3132025 1.3775060 1.4813313 1.5374786 1.6122828 2.2457878 2.5264176 2.6860036 2.7610932 3.2503162 4.0773247 4.1242408 4.2137658 4.2603008 4.4520416 4.6572893 4.7798716 5.5322375 5.7170220 5.7785105 6.6921984 6.7781296 7.0802069 7.2820893 7.4939189 7.6013413 8.2819062 8.7455355 8.9716808 9.0757946 9.1279368 9.6171563 9.8531396 9.9749399 10.1391836 10.3435727 10.6663882 10.9276616 11.0812376 11.6685022 11.7230038 11.8949945 12.0734602 12.6818016 12.9354897 12.9538998 13.0157941 13.3508163 13.6695125 14.2862045 14.3483980 14.7073674 15.1969681 15.2249838 15.5717826 15.7940855 15.9890264 16.2379168 16.7759550 16.8890886 17.1482996 17.3211954 17.5638900 17.7321285 17.8564114 18.1406471 18.4458950 18.5220817 19.0332583 19.4774283 19.5243863 19.8427140 19.9093778 19.9977386 20.3145220 20.3392053 20.3938370 20.7811218 21.0005431 21.2728305 21.5644566 21.7265933 21.9261247 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034322 0.0034325 0.0034333 0.0034341 0.0034345 0.0034345 17.8496288 20.1876344 25.0089030 27.2443086 29.7066069 35.1964038 43.4514917 55.5061247 61.1203685 66.9111658 71.7514605 96.8471507 97.4381889 103.5960741 108.0689074 114.5319965 121.3527239 124.4403233 127.4506413 132.1664950 134.6479729 137.8846394 162.7345008 172.6028041 177.9707266 180.4412457 195.7753843 219.2718746 220.5298015 222.9104758 224.1379595 229.1262699 234.3483426 237.4123988 255.4145814 259.6451476 261.0377001 280.9180751 282.7158873 288.9470424 293.0375535 297.2691044 299.3921407 312.5074929 321.1356224 325.2611454 327.1429833 328.0813866 336.7585399 340.8651472 342.9654915 345.7775357 349.2452963 354.6532734 358.9706146 361.4842791 370.9392895 371.8045787 374.5220599 377.3211573 386.7103158 390.5590607 390.8368886 391.7694935 396.7794678 401.4872827 410.4438106 411.3362537 416.4498895 423.3248437 423.7148641 428.5134382 431.5613303 434.2164681 437.5829943 444.7735033 446.2707130 449.6823189 451.9435690 455.0987414 457.2731648 458.8728601 462.5105751 466.3856149 467.3477740 473.7528667 479.2488587 479.8262193 483.7219736 484.5338517 485.6078777 489.4390133 489.7362711 490.3935531 495.0280112 497.6345704 500.8502796 504.2716344 506.1638183 508.4827455 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 10464 Rtb_to_modes> Number of blocs = 194 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: 9.9895E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9914E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9964E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0001E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0003E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0003E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 2.7019E-02 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 3.4561E-02 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 5.3039E-02 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 6.2945E-02 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 7.4837E-02 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.1051 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.1601 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.2613 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.3168 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.3797 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.4366 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.7954 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.8051 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.9101 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.9904 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 1.112 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 1.249 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 1.313 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 1.378 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 1.481 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 1.537 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 1.612 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 2.246 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 2.526 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 2.686 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 2.761 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 3.250 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 4.077 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 4.124 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 4.214 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 4.260 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 4.452 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 4.657 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 4.780 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 5.532 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 5.717 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 5.779 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 6.692 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 6.778 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 7.080 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 7.282 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 7.494 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 7.601 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 8.282 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 8.746 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 8.972 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 9.076 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 9.128 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 9.617 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 9.853 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 9.975 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 10.14 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 10.34 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 10.67 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 10.93 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 11.08 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 11.67 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 11.72 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 11.89 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 12.07 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 12.68 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 12.94 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 12.95 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 13.02 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 13.35 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 13.67 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 14.29 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 14.35 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 14.71 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 15.20 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 15.22 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 15.57 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 15.79 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 15.99 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 16.24 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 16.78 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 16.89 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 17.15 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 17.32 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 17.56 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 17.73 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 17.86 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 18.14 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 18.45 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 18.52 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 19.03 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 19.48 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 19.52 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 19.84 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 19.91 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 20.00 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 20.31 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 20.34 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 20.39 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 20.78 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 21.00 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 21.27 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 21.56 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 21.73 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 21.93 Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 0.99999 1.00001 0.99999 1.00000 0.99999 0.99998 0.99999 1.00001 1.00000 0.99998 0.99999 1.00003 0.99999 1.00000 1.00000 0.99993 0.99998 1.00001 1.00000 0.99998 0.99999 0.99998 0.99999 1.00001 1.00000 1.00002 0.99999 1.00004 1.00003 0.99998 1.00001 1.00000 0.99997 0.99996 0.99998 1.00000 1.00001 1.00000 1.00003 0.99999 0.99999 1.00001 1.00000 0.99999 0.99998 1.00000 0.99998 0.99999 0.99999 1.00001 0.99999 1.00002 1.00003 0.99998 1.00000 0.99998 0.99998 1.00002 1.00001 0.99998 0.99999 0.99997 0.99998 0.99999 1.00002 1.00000 0.99997 0.99998 1.00000 0.99999 1.00000 0.99997 0.99997 0.99999 1.00000 0.99999 0.99997 1.00001 0.99999 1.00001 1.00003 1.00002 1.00001 1.00000 1.00001 1.00000 0.99998 1.00000 1.00001 1.00000 0.99999 1.00000 1.00002 0.99999 1.00000 0.99999 1.00001 1.00000 1.00002 0.99998 0.99998 1.00001 1.00000 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 188352 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 0.99999 1.00001 0.99999 1.00000 0.99999 0.99998 0.99999 1.00001 1.00000 0.99998 0.99999 1.00003 0.99999 1.00000 1.00000 0.99993 0.99998 1.00001 1.00000 0.99998 0.99999 0.99998 0.99999 1.00001 1.00000 1.00002 0.99999 1.00004 1.00003 0.99998 1.00001 1.00000 0.99997 0.99996 0.99998 1.00000 1.00001 1.00000 1.00003 0.99999 0.99999 1.00001 1.00000 0.99999 0.99998 1.00000 0.99998 0.99999 0.99999 1.00001 0.99999 1.00002 1.00003 0.99998 1.00000 0.99998 0.99998 1.00002 1.00001 0.99998 0.99999 0.99997 0.99998 0.99999 1.00002 1.00000 0.99997 0.99998 1.00000 0.99999 1.00000 0.99997 0.99997 0.99999 1.00000 0.99999 0.99997 1.00001 0.99999 1.00001 1.00003 1.00002 1.00001 1.00000 1.00001 1.00000 0.99998 1.00000 1.00001 1.00000 0.99999 1.00000 1.00002 0.99999 1.00000 0.99999 1.00001 1.00000 1.00002 0.99998 0.99998 1.00001 1.00000 0.99999 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3: 0.000-0.000 Vector 4:-0.000 0.000 0.000 Vector 5: 0.000-0.000-0.000-0.000 Vector 6:-0.000-0.000 0.000 0.000 0.000 Vector 7:-0.000 0.000 0.000 0.000-0.000 0.000 Vector 8: 0.000-0.000-0.000 0.000-0.000-0.000-0.000 Vector 9: 0.000 0.000 0.000 0.000 0.000 0.000-0.000 0.000 Vector 10:-0.000-0.000 0.000-0.000-0.000 0.000 0.000 0.000-0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 240323151426237850.eigenfacs Openam> file on opening on unit 10: 240323151426237850.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 240323151426237850.atom Openam> file on opening on unit 11: 240323151426237850.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 = 1350 First residue number = 1 Last residue number = 675 Number of atoms found = 10464 Mean number per residue = 7.8 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9895E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9914E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9964E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 2.7019E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 3.4561E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 5.3039E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 6.2945E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 7.4837E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1051 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1601 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2613 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3168 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3797 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4366 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7954 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8051 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9101 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9904 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 1.112 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 1.249 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 1.313 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 1.378 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 1.481 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 1.537 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 1.612 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 2.246 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 2.526 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 2.686 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 2.761 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 3.250 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 4.077 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 4.124 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 4.214 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 4.260 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 4.452 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 4.657 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 4.780 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 5.532 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 5.717 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 5.779 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 6.692 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 6.778 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 7.080 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 7.282 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 7.494 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 7.601 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 8.282 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 8.746 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 8.972 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 9.076 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 9.128 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 9.617 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 9.853 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 9.975 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 10.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 10.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 10.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 10.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 11.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 11.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 11.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 11.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 12.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 12.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 12.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 12.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 13.02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 13.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 13.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 14.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 14.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 14.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 15.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 15.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 15.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 15.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 15.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 16.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 16.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 16.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 17.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 17.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 17.56 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 17.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 17.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 18.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 18.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 18.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 19.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 19.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 19.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 19.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 19.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 20.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 20.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 20.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 20.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 20.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 21.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 21.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 21.56 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 21.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 21.93 Bfactors> 106 vectors, 31392 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 : 0.027019 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= -0.283 for 1350 C-alpha atoms. Bfactors> = 0.291 +/- 2.41 Bfactors> = 75.566 +/- 16.92 Bfactors> Shiftng-fct= 75.276 Bfactors> Scaling-fct= 7.020 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes getting mode 7 running: ../../bin/get_modes.sh 240323151426237850 7 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 240323151426237850 8 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 240323151426237850 9 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 240323151426237850 10 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 240323151426237850 11 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 240323151426237850 12 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 240323151426237850 13 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 240323151426237850 14 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 240323151426237850 15 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 240323151426237850 16 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-500 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=-20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=0 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=20 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=40 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=60 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=80 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=100 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=120 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=140 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=160 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=180 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=200 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=220 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=240 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=260 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=280 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=300 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=320 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=340 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=360 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=380 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=400 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=420 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=440 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=460 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=480 240323151426237850.eigenfacs 240323151426237850.atom calculating perturbed structure for DQ=500 240323151426237850.eigenfacs 240323151426237850.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 240323151426237850.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 240323151426237850.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 240323151426237850.10.pdb 240323151426237850.11.pdb 240323151426237850.12.pdb 240323151426237850.13.pdb 240323151426237850.14.pdb 240323151426237850.15.pdb 240323151426237850.16.pdb 240323151426237850.7.pdb 240323151426237850.8.pdb 240323151426237850.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m56.720s user 0m56.479s sys 0m0.176s ../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory mv: cannot stat 'Chkmod.res': No such file or directory cat: 240323151426237850.Chkmod.res: No such file or 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Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.