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LOGs for ID: 21053102270762764

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 = 21053102270762764.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 21053102270762764.atom to be opened. Openam> File opened: 21053102270762764.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 = 245 First residue number = 5 Last residue number = 254 Number of atoms found = 1926 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = 0.916448 +/- 9.041894 From: -23.409000 To: 22.193000 = -0.301737 +/- 7.856739 From: -25.448000 To: 18.399000 = -6.348998 +/- 13.922447 From: -36.743000 To: 24.467000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 4.2289 % Filled. Pdbmat> 706038 non-zero elements. Pdbmat> 77178 atom-atom interactions. Pdbmat> Number per atom= 80.14 +/- 23.34 Maximum number = 131 Minimum number = 13 Pdbmat> Matrix trace = 1.543560E+06 Pdbmat> Larger element = 477.075 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 245 non-zero elements, NRBL set to 2 Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 21053102270762764.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 2 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 21053102270762764.atom to be opened. Openam> file on opening on unit 11: 21053102270762764.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1926 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 2 residue(s) per block. Blocpdb> 245 residues. Blocpdb> 15 atoms in block 1 Block first atom: 1 Blocpdb> 11 atoms in block 2 Block first atom: 16 Blocpdb> 14 atoms in block 3 Block first atom: 27 Blocpdb> 13 atoms in block 4 Block first atom: 41 Blocpdb> 10 atoms in block 5 Block first atom: 54 Blocpdb> 12 atoms in block 6 Block first atom: 64 Blocpdb> 15 atoms in block 7 Block first atom: 76 Blocpdb> 13 atoms in block 8 Block first atom: 91 Blocpdb> 9 atoms in block 9 Block first atom: 104 Blocpdb> 13 atoms in block 10 Block first atom: 113 Blocpdb> 20 atoms in block 11 Block first atom: 126 Blocpdb> 12 atoms in block 12 Block first atom: 146 Blocpdb> 16 atoms in block 13 Block first atom: 158 Blocpdb> 10 atoms in block 14 Block first atom: 174 Blocpdb> 16 atoms in block 15 Block first atom: 184 Blocpdb> 19 atoms in block 16 Block first atom: 200 Blocpdb> 16 atoms in block 17 Block first atom: 219 Blocpdb> 12 atoms in block 18 Block first atom: 235 Blocpdb> 19 atoms in block 19 Block first atom: 247 Blocpdb> 12 atoms in block 20 Block first atom: 266 Blocpdb> 16 atoms in block 21 Block first atom: 278 Blocpdb> 19 atoms in block 22 Block first atom: 294 Blocpdb> 19 atoms in block 23 Block first atom: 313 Blocpdb> 18 atoms in block 24 Block first atom: 332 Blocpdb> 15 atoms in block 25 Block first atom: 350 Blocpdb> 17 atoms in block 26 Block first atom: 365 Blocpdb> 12 atoms in block 27 Block first atom: 382 Blocpdb> 12 atoms in block 28 Block first atom: 394 Blocpdb> 12 atoms in block 29 Block first atom: 406 Blocpdb> 13 atoms in block 30 Block first atom: 418 Blocpdb> 14 atoms in block 31 Block first atom: 431 Blocpdb> 12 atoms in block 32 Block first atom: 445 Blocpdb> 11 atoms in block 33 Block first atom: 457 Blocpdb> 9 atoms in block 34 Block first atom: 468 Blocpdb> 14 atoms in block 35 Block first atom: 477 Blocpdb> 11 atoms in block 36 Block first atom: 491 Blocpdb> 15 atoms in block 37 Block first atom: 502 Blocpdb> 12 atoms in block 38 Block first atom: 517 Blocpdb> 19 atoms in block 39 Block first atom: 529 Blocpdb> 13 atoms in block 40 Block first atom: 548 Blocpdb> 22 atoms in block 41 Block first atom: 561 Blocpdb> 21 atoms in block 42 Block first atom: 583 Blocpdb> 18 atoms in block 43 Block first atom: 604 Blocpdb> 18 atoms in block 44 Block first atom: 622 Blocpdb> 18 atoms in block 45 Block first atom: 640 Blocpdb> 16 atoms in block 46 Block first atom: 658 Blocpdb> 19 atoms in block 47 Block first atom: 674 Blocpdb> 15 atoms in block 48 Block first atom: 693 Blocpdb> 19 atoms in block 49 Block first atom: 708 Blocpdb> 12 atoms in block 50 Block first atom: 727 Blocpdb> 16 atoms in block 51 Block first atom: 739 Blocpdb> 16 atoms in block 52 Block first atom: 755 Blocpdb> 15 atoms in block 53 Block first atom: 771 Blocpdb> 12 atoms in block 54 Block first atom: 786 Blocpdb> 17 atoms in block 55 Block first atom: 798 Blocpdb> 11 atoms in block 56 Block first atom: 815 Blocpdb> 12 atoms in block 57 Block first atom: 826 Blocpdb> 15 atoms in block 58 Block first atom: 838 Blocpdb> 13 atoms in block 59 Block first atom: 853 Blocpdb> 24 atoms in block 60 Block first atom: 866 Blocpdb> 16 atoms in block 61 Block first atom: 890 Blocpdb> 18 atoms in block 62 Block first atom: 906 Blocpdb> 14 atoms in block 63 Block first atom: 924 Blocpdb> 19 atoms in block 64 Block first atom: 938 Blocpdb> 12 atoms in block 65 Block first atom: 957 Blocpdb> 26 atoms in block 66 Block first atom: 969 Blocpdb> 15 atoms in block 67 Block first atom: 995 Blocpdb> 19 atoms in block 68 Block first atom: 1010 Blocpdb> 17 atoms in block 69 Block first atom: 1029 Blocpdb> 12 atoms in block 70 Block first atom: 1046 Blocpdb> 18 atoms in block 71 Block first atom: 1058 Blocpdb> 19 atoms in block 72 Block first atom: 1076 Blocpdb> 16 atoms in block 73 Block first atom: 1095 Blocpdb> 12 atoms in block 74 Block first atom: 1111 Blocpdb> 12 atoms in block 75 Block first atom: 1123 Blocpdb> 16 atoms in block 76 Block first atom: 1135 Blocpdb> 16 atoms in block 77 Block first atom: 1151 Blocpdb> 20 atoms in block 78 Block first atom: 1167 Blocpdb> 16 atoms in block 79 Block first atom: 1187 Blocpdb> 20 atoms in block 80 Block first atom: 1203 Blocpdb> 19 atoms in block 81 Block first atom: 1223 Blocpdb> 16 atoms in block 82 Block first atom: 1242 Blocpdb> 13 atoms in block 83 Block first atom: 1258 Blocpdb> 14 atoms in block 84 Block first atom: 1271 Blocpdb> 23 atoms in block 85 Block first atom: 1285 Blocpdb> 15 atoms in block 86 Block first atom: 1308 Blocpdb> 13 atoms in block 87 Block first atom: 1323 Blocpdb> 12 atoms in block 88 Block first atom: 1336 Blocpdb> 18 atoms in block 89 Block first atom: 1348 Blocpdb> 19 atoms in block 90 Block first atom: 1366 Blocpdb> 10 atoms in block 91 Block first atom: 1385 Blocpdb> 13 atoms in block 92 Block first atom: 1395 Blocpdb> 19 atoms in block 93 Block first atom: 1408 Blocpdb> 13 atoms in block 94 Block first atom: 1427 Blocpdb> 16 atoms in block 95 Block first atom: 1440 Blocpdb> 23 atoms in block 96 Block first atom: 1456 Blocpdb> 12 atoms in block 97 Block first atom: 1479 Blocpdb> 17 atoms in block 98 Block first atom: 1491 Blocpdb> 13 atoms in block 99 Block first atom: 1508 Blocpdb> 21 atoms in block 100 Block first atom: 1521 Blocpdb> 14 atoms in block 101 Block first atom: 1542 Blocpdb> 12 atoms in block 102 Block first atom: 1556 Blocpdb> 13 atoms in block 103 Block first atom: 1568 Blocpdb> 16 atoms in block 104 Block first atom: 1581 Blocpdb> 22 atoms in block 105 Block first atom: 1597 Blocpdb> 14 atoms in block 106 Block first atom: 1619 Blocpdb> 17 atoms in block 107 Block first atom: 1633 Blocpdb> 12 atoms in block 108 Block first atom: 1650 Blocpdb> 19 atoms in block 109 Block first atom: 1662 Blocpdb> 16 atoms in block 110 Block first atom: 1681 Blocpdb> 20 atoms in block 111 Block first atom: 1697 Blocpdb> 21 atoms in block 112 Block first atom: 1717 Blocpdb> 23 atoms in block 113 Block first atom: 1738 Blocpdb> 17 atoms in block 114 Block first atom: 1761 Blocpdb> 19 atoms in block 115 Block first atom: 1778 Blocpdb> 17 atoms in block 116 Block first atom: 1797 Blocpdb> 19 atoms in block 117 Block first atom: 1814 Blocpdb> 15 atoms in block 118 Block first atom: 1833 Blocpdb> 20 atoms in block 119 Block first atom: 1848 Blocpdb> 13 atoms in block 120 Block first atom: 1868 Blocpdb> 15 atoms in block 121 Block first atom: 1881 Blocpdb> 19 atoms in block 122 Block first atom: 1896 Blocpdb> 12 atoms in block 123 Block first atom: 1914 Blocpdb> 123 blocks. Blocpdb> At most, 26 atoms in each of them. Blocpdb> At least, 9 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> 706161 matrix lines read. Prepmat> Matrix order = 5778 Prepmat> Matrix trace = 1543560.0000 Prepmat> Last element read: 5778 5778 267.0678 Prepmat> 7627 lines saved. Prepmat> 6387 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: 1926 RTB> Total mass = 1926.0000 RTB> Number of atoms found in matrix: 1926 RTB> Number of blocks = 123 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 165035.9323 RTB> 42759 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 = 738 Diagstd> Nb of non-zero elements: 42759 Diagstd> Projected matrix trace = 165035.9323 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 738 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 165035.9323 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 2.8071562 3.7689750 3.9680930 6.3421040 7.6842931 8.4368967 9.3121082 10.5069130 10.7873141 11.2938412 12.2561951 12.4805760 13.4416934 14.9614139 15.4126033 16.2089476 16.8847843 17.2076791 18.2449035 19.5081728 20.1749570 20.8939788 22.3692415 22.6084298 23.6847108 24.4418141 25.1854255 26.0097466 26.0961285 27.6867101 27.9373410 29.6689830 30.4108652 30.6552487 31.7566147 32.2448641 33.0397498 33.9243296 34.8452895 35.9082057 36.6041736 37.6405550 38.9254330 39.2836662 40.0553545 40.5557147 41.9817712 42.6675452 43.1121354 43.8731691 44.8293342 45.0996626 46.3727114 46.9060091 47.3398781 49.3438064 51.1146254 51.5278660 51.9200392 52.9074000 53.2593748 54.6789607 55.8947016 57.2393621 58.1935258 58.7475593 59.3203901 59.7940930 60.8146522 62.2122071 62.6188619 63.0124541 63.5029378 63.8910812 64.1797359 65.4790909 66.4311709 66.6479779 67.7954475 68.8840639 68.9602927 69.4384999 70.0009105 70.6299400 72.0810964 72.7333483 72.8888484 73.8020995 74.7936952 74.9962534 75.6579036 76.0490797 77.0944157 77.7073378 77.9227245 79.0520514 79.5311494 79.8827180 80.5421462 81.0675375 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034327 0.0034329 0.0034334 0.0034340 0.0034351 0.0034355 181.9401587 210.8176201 216.3147837 273.4714299 301.0213098 315.4181262 331.3746530 351.9920444 356.6579783 364.9355057 380.1658603 383.6300288 398.1275877 420.0312466 426.3176183 437.1924862 446.2138429 450.4602037 463.8377221 479.6269497 487.7548413 496.3703774 513.5951448 516.3337110 528.4809336 536.8611759 544.9666505 553.8132485 554.7321305 571.3877915 573.9681782 591.4889154 598.8384377 601.2397735 611.9449856 616.6312863 624.1854702 632.4860003 641.0137109 650.7169692 656.9927594 666.2286262 677.5042228 680.6146399 687.2671248 691.5463764 703.5997214 709.3231086 713.0090590 719.2746979 727.0703336 729.2592171 739.4801577 743.7201055 747.1518017 762.8016157 776.3684378 779.5004294 782.4611549 789.8661276 792.4891265 802.9812524 811.8589847 821.5664064 828.3857425 832.3197395 836.3677521 839.7005187 846.8361597 856.5112760 859.3060416 862.0024043 865.3507792 867.9913538 869.9499015 878.7120878 885.0773644 886.5204717 894.1194576 901.2694716 901.7680174 904.8892842 908.5464267 912.6194050 921.9470357 926.1089278 927.0983849 932.8882832 939.1344577 940.4052918 944.5445182 946.9831720 953.4693591 957.2520291 958.5777511 965.4990537 968.4203566 970.5584539 974.5561785 977.7296170 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1926 Rtb_to_modes> Number of blocs = 123 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: 9.9928E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9936E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9969E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0007E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0009E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 2.807 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 3.769 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 3.968 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 6.342 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 7.684 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 8.437 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 9.312 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 10.51 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 10.79 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 11.29 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 12.26 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 12.48 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 13.44 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 14.96 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 15.41 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 16.21 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 16.88 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 17.21 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 18.24 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 19.51 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 20.17 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 20.89 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 22.37 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 22.61 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 23.68 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 24.44 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 25.19 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 26.01 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 26.10 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 27.69 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 27.94 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 29.67 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 30.41 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 30.66 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 31.76 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 32.24 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 33.04 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 33.92 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 34.85 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 35.91 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 36.60 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 37.64 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 38.93 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 39.28 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 40.06 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 40.56 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 41.98 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 42.67 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 43.11 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 43.87 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 44.83 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 45.10 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 46.37 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 46.91 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 47.34 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 49.34 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 51.11 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 51.53 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 51.92 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 52.91 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 53.26 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 54.68 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 55.89 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 57.24 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 58.19 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 58.75 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 59.32 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 59.79 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 60.81 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 62.21 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 62.62 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 63.01 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 63.50 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 63.89 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 64.18 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 65.48 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 66.43 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 66.65 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 67.80 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 68.88 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 68.96 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 69.44 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 70.00 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 70.63 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 72.08 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 72.73 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 72.89 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 73.80 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 74.79 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 75.00 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 75.66 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 76.05 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 77.09 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 77.71 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 77.92 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 79.05 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 79.53 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 79.88 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 80.54 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 81.07 Rtb_to_modes> 106 vectors, with 738 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99999 1.00001 1.00001 0.99999 1.00000 0.99998 1.00000 1.00002 1.00002 1.00002 1.00001 1.00000 0.99998 1.00000 0.99998 0.99999 1.00002 1.00001 1.00000 0.99999 1.00002 1.00002 1.00002 0.99995 1.00000 1.00001 0.99999 1.00002 1.00001 1.00002 1.00005 1.00000 0.99999 1.00001 0.99999 0.99999 0.99998 1.00003 1.00004 1.00000 1.00000 0.99998 1.00000 0.99997 0.99998 0.99997 0.99997 0.99998 1.00001 1.00004 1.00002 1.00004 0.99999 0.99997 0.99999 1.00001 0.99996 1.00002 0.99998 0.99998 1.00001 1.00003 0.99997 1.00000 1.00000 1.00002 1.00004 1.00001 1.00000 1.00001 1.00001 0.99998 0.99999 1.00001 1.00002 1.00003 1.00000 0.99995 1.00001 0.99999 0.99996 0.99997 1.00000 1.00000 1.00002 1.00000 0.99999 1.00002 1.00003 0.99999 1.00001 0.99999 1.00002 1.00000 1.00001 1.00000 1.00001 1.00001 0.99998 1.00001 1.00002 1.00002 0.99998 1.00000 0.99998 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 34668 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99999 1.00001 1.00001 0.99999 1.00000 0.99998 1.00000 1.00002 1.00002 1.00002 1.00001 1.00000 0.99998 1.00000 0.99998 0.99999 1.00002 1.00001 1.00000 0.99999 1.00002 1.00002 1.00002 0.99995 1.00000 1.00001 0.99999 1.00002 1.00001 1.00002 1.00005 1.00000 0.99999 1.00001 0.99999 0.99999 0.99998 1.00003 1.00004 1.00000 1.00000 0.99998 1.00000 0.99997 0.99998 0.99997 0.99997 0.99998 1.00001 1.00004 1.00002 1.00004 0.99999 0.99997 0.99999 1.00001 0.99996 1.00002 0.99998 0.99998 1.00001 1.00003 0.99997 1.00000 1.00000 1.00002 1.00004 1.00001 1.00000 1.00001 1.00001 0.99998 0.99999 1.00001 1.00002 1.00003 1.00000 0.99995 1.00001 0.99999 0.99996 0.99997 1.00000 1.00000 1.00002 1.00000 0.99999 1.00002 1.00003 0.99999 1.00001 0.99999 1.00002 1.00000 1.00001 1.00000 1.00001 1.00001 0.99998 1.00001 1.00002 1.00002 0.99998 1.00000 0.99998 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> 21053102270762764.eigenfacs Openam> file on opening on unit 10: 21053102270762764.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 21053102270762764.atom Openam> file on opening on unit 11: 21053102270762764.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 = 245 First residue number = 5 Last residue number = 254 Number of atoms found = 1926 Mean number per residue = 7.9 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9928E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 2.807 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 3.769 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 3.968 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 6.342 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 7.684 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 8.437 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 9.312 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 10.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 10.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 11.29 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 12.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 12.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 13.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 14.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 15.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 16.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 16.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 17.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 18.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 19.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 20.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 20.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 22.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 22.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 23.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 24.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 25.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 26.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 26.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 27.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 27.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 29.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 30.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 30.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 31.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 32.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 33.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 33.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 34.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 35.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 36.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 37.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 38.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 39.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 40.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 40.56 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 41.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 42.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 43.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 43.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 44.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 45.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 46.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 46.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 47.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 49.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 51.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 51.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 51.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 52.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 53.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 54.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 55.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 57.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 58.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 58.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 59.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 59.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 60.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 62.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 62.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 63.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 63.50 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 63.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 64.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 65.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 66.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 66.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 67.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 68.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 68.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 69.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 70.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 70.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 72.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 72.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 72.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 73.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 74.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 75.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 75.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 76.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 77.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 77.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 77.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 79.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 79.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 79.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 80.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 81.07 Bfactors> 106 vectors, 5778 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 : 2.807000 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= 0.687 for 245 C-alpha atoms. Bfactors> = 0.031 +/- 0.04 Bfactors> = 77.100 +/- 19.78 Bfactors> Shiftng-fct= 77.069 Bfactors> Scaling-fct= 456.654 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 21053102270762764.eigenfacs Openam> file on opening on unit 10: 21053102270762764.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4326E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4350E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 181.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 210.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 216.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 273.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 301.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 315.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 331.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 352.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 356.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 364.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 380.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 383.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 398.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 420.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 426.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 437.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 446.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 450.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 463.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 479.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 487.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 496.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 513.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 516.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 528.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 536.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 545.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 553.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 554.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 571.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 574.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 591.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 598.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 601.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 612.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 616.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 624.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 632.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 641.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 650.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 656.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 666.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 677.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 680.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 687.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 691.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 703.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 709.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 713.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 719.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 727.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 729.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 739.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 743.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 747.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 762.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 776.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 779.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 782.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 789.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 792.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 803.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 811.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 821.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 828.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 832.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 836.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 839.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 846.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 856.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 859.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 861.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 865.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 867.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 869.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 878.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 885.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 886.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 894.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 901.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 901.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 904.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 908.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 912.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 921.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 926.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 927.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 932.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 939.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 940.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 944.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 946.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 953.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 957.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 958.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 965.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 968.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 970.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 974.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 977.7 Chkmod> 106 vectors, 5778 coordinates in file. Chkmod> That is: 1926 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 24 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 31 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 47 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 81 is: 0.9999 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7191 0.0034 0.8671 0.0034 0.9904 0.0034 0.7670 0.0034 0.7946 0.0034 0.7827 181.9273 0.5225 210.8093 0.2639 216.3030 0.5647 273.4574 0.2907 301.0026 0.2381 315.4065 0.2300 331.3585 0.3308 352.0286 0.4153 356.6871 0.3383 364.8578 0.2841 380.2085 0.2004 383.6047 0.1436 398.0854 0.5952 419.9934 0.4351 426.2633 0.3431 437.1879 0.3990 446.1315 0.1673 450.4712 0.3782 463.7555 0.4110 479.6288 0.2505 487.6740 0.6157 496.3018 0.2948 513.5818 0.2191 516.3295 0.2320 528.4057 0.3557 536.8182 0.3906 544.9927 0.2789 553.7922 0.4588 554.7495 0.4357 571.3972 0.3645 573.9709 0.3575 591.4737 0.3995 598.8042 0.4971 601.2606 0.4615 611.9513 0.4773 616.5583 0.4280 624.1610 0.3563 632.4185 0.3084 641.0295 0.4421 650.7053 0.2714 656.9271 0.3446 666.1951 0.5065 677.5149 0.5093 680.5537 0.2653 687.2775 0.4838 691.5532 0.2689 703.5547 0.3754 709.3131 0.4426 712.9608 0.3986 719.2178 0.4296 727.0445 0.3773 729.2306 0.5054 739.4268 0.6262 743.7198 0.4916 747.1207 0.3578 762.7394 0.4162 776.3000 0.4783 779.4831 0.4067 782.4273 0.5169 789.8516 0.4028 792.4598 0.3485 802.9544 0.4304 811.7900 0.3897 821.5357 0.5332 828.3251 0.5089 832.3013 0.4713 836.3291 0.4415 839.6357 0.3860 846.7674 0.4307 856.4593 0.3482 859.2770 0.5225 861.9486 0.4896 865.2936 0.4387 867.9467 0.5253 869.9143 0.3345 878.6805 0.5422 885.0316 0.3136 886.4959 0.5505 894.1111 0.4907 901.2042 0.4290 901.7274 0.3551 904.8602 0.4418 908.5015 0.4747 912.5806 0.4459 921.9004 0.3993 926.0479 0.5222 927.0659 0.5457 932.8350 0.4782 939.0709 0.4399 940.3884 0.4172 944.5171 0.3705 946.9483 0.3866 953.4011 0.3067 957.2273 0.3702 958.5198 0.4704 965.4451 0.4432 968.3718 0.5138 970.5003 0.3344 974.5014 0.3972 977.7025 0.2493 getting mode 7 running: ../../bin/get_modes.sh 21053102270762764 7 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 21053102270762764 8 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 21053102270762764 9 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 21053102270762764 10 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 21053102270762764 11 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 21053102270762764 12 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 21053102270762764 13 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 21053102270762764 14 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 21053102270762764 15 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 21053102270762764 16 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 21053102270762764 17 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 21053102270762764 18 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 21053102270762764 19 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 21053102270762764 20 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 21053102270762764 21 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 21053102270762764 22 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 21053102270762764 23 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 21053102270762764 24 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 21053102270762764 25 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 21053102270762764 26 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 21053102270762764 27 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 21053102270762764 28 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 21053102270762764 29 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 21053102270762764 30 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 21053102270762764 31 -3 3 1 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-3 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=-1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=0 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=1 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=2 21053102270762764.eigenfacs 21053102270762764.atom calculating perturbed structure for DQ=3 21053102270762764.eigenfacs 21053102270762764.atom making animated gifs 7 models are in 21053102270762764.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 7 models are in 21053102270762764.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted MODEL 6 will be plotted MODEL 7 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21053102270762764.10.pdb 21053102270762764.11.pdb 21053102270762764.12.pdb 21053102270762764.13.pdb 21053102270762764.14.pdb 21053102270762764.15.pdb 21053102270762764.16.pdb 21053102270762764.17.pdb 21053102270762764.18.pdb 21053102270762764.19.pdb 21053102270762764.20.pdb 21053102270762764.21.pdb 21053102270762764.22.pdb 21053102270762764.23.pdb 21053102270762764.24.pdb 21053102270762764.25.pdb 21053102270762764.26.pdb 21053102270762764.27.pdb 21053102270762764.28.pdb 21053102270762764.29.pdb 21053102270762764.30.pdb 21053102270762764.31.pdb 21053102270762764.7.pdb 21053102270762764.8.pdb 21053102270762764.9.pdb STDERR: real 0m6.785s user 0m6.656s sys 0m0.124s pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file 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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.