***  FXIa G216A-G226A  ***
Output from eigenvector calculation:
STDOUT:
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2602061647033086323.atom
Pdbmat> Distance cutoff = 15.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2602061647033086323.atom to be opened.
Openam> File opened: 2602061647033086323.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1892
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -0.992449 +/- 10.452747 From: -27.971000 To: 22.945000
= -0.010090 +/- 8.875239 From: -19.670000 To: 22.464000
= -0.413969 +/- 9.940067 From: -25.520000 To: 22.439000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 21.5806 % Filled.
Pdbmat> 3476928 non-zero elements.
Pdbmat> 385114 atom-atom interactions.
Pdbmat> Number per atom= 407.10 +/- 142.14
Maximum number = 736
Minimum number = 81
Pdbmat> Matrix trace = 7.702280E+06
Pdbmat> Larger element = 2647.64
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
238 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2602061647033086323.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2602061647033086323.atom to be opened.
Openam> file on opening on unit 11:
2602061647033086323.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1892 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 238 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 16
Blocpdb> 12 atoms in block 3
Block first atom: 24
Blocpdb> 13 atoms in block 4
Block first atom: 36
Blocpdb> 15 atoms in block 5
Block first atom: 49
Blocpdb> 23 atoms in block 6
Block first atom: 64
Blocpdb> 21 atoms in block 7
Block first atom: 87
Blocpdb> 16 atoms in block 8
Block first atom: 108
Blocpdb> 15 atoms in block 9
Block first atom: 124
Blocpdb> 17 atoms in block 10
Block first atom: 139
Blocpdb> 13 atoms in block 11
Block first atom: 156
Blocpdb> 14 atoms in block 12
Block first atom: 169
Blocpdb> 20 atoms in block 13
Block first atom: 183
Blocpdb> 18 atoms in block 14
Block first atom: 203
Blocpdb> 10 atoms in block 15
Block first atom: 221
Blocpdb> 10 atoms in block 16
Block first atom: 231
Blocpdb> 16 atoms in block 17
Block first atom: 241
Blocpdb> 12 atoms in block 18
Block first atom: 257
Blocpdb> 23 atoms in block 19
Block first atom: 269
Blocpdb> 16 atoms in block 20
Block first atom: 292
Blocpdb> 12 atoms in block 21
Block first atom: 308
Blocpdb> 15 atoms in block 22
Block first atom: 320
Blocpdb> 17 atoms in block 23
Block first atom: 335
Blocpdb> 16 atoms in block 24
Block first atom: 352
Blocpdb> 16 atoms in block 25
Block first atom: 368
Blocpdb> 13 atoms in block 26
Block first atom: 384
Blocpdb> 17 atoms in block 27
Block first atom: 397
Blocpdb> 19 atoms in block 28
Block first atom: 414
Blocpdb> 19 atoms in block 29
Block first atom: 433
Blocpdb> 10 atoms in block 30
Block first atom: 452
Blocpdb> 16 atoms in block 31
Block first atom: 462
Blocpdb> 18 atoms in block 32
Block first atom: 478
Blocpdb> 15 atoms in block 33
Block first atom: 496
Blocpdb> 17 atoms in block 34
Block first atom: 511
Blocpdb> 17 atoms in block 35
Block first atom: 528
Blocpdb> 13 atoms in block 36
Block first atom: 545
Blocpdb> 22 atoms in block 37
Block first atom: 558
Blocpdb> 11 atoms in block 38
Block first atom: 580
Blocpdb> 18 atoms in block 39
Block first atom: 591
Blocpdb> 16 atoms in block 40
Block first atom: 609
Blocpdb> 18 atoms in block 41
Block first atom: 625
Blocpdb> 17 atoms in block 42
Block first atom: 643
Blocpdb> 21 atoms in block 43
Block first atom: 660
Blocpdb> 13 atoms in block 44
Block first atom: 681
Blocpdb> 15 atoms in block 45
Block first atom: 694
Blocpdb> 16 atoms in block 46
Block first atom: 709
Blocpdb> 16 atoms in block 47
Block first atom: 725
Blocpdb> 13 atoms in block 48
Block first atom: 741
Blocpdb> 17 atoms in block 49
Block first atom: 754
Blocpdb> 17 atoms in block 50
Block first atom: 771
Blocpdb> 14 atoms in block 51
Block first atom: 788
Blocpdb> 16 atoms in block 52
Block first atom: 802
Blocpdb> 19 atoms in block 53
Block first atom: 818
Blocpdb> 14 atoms in block 54
Block first atom: 837
Blocpdb> 20 atoms in block 55
Block first atom: 851
Blocpdb> 15 atoms in block 56
Block first atom: 871
Blocpdb> 14 atoms in block 57
Block first atom: 886
Blocpdb> 13 atoms in block 58
Block first atom: 900
Blocpdb> 13 atoms in block 59
Block first atom: 913
Blocpdb> 19 atoms in block 60
Block first atom: 926
Blocpdb> 15 atoms in block 61
Block first atom: 945
Blocpdb> 20 atoms in block 62
Block first atom: 960
Blocpdb> 15 atoms in block 63
Block first atom: 980
Blocpdb> 20 atoms in block 64
Block first atom: 995
Blocpdb> 14 atoms in block 65
Block first atom: 1015
Blocpdb> 18 atoms in block 66
Block first atom: 1029
Blocpdb> 16 atoms in block 67
Block first atom: 1047
Blocpdb> 20 atoms in block 68
Block first atom: 1063
Blocpdb> 19 atoms in block 69
Block first atom: 1083
Blocpdb> 17 atoms in block 70
Block first atom: 1102
Blocpdb> 17 atoms in block 71
Block first atom: 1119
Blocpdb> 15 atoms in block 72
Block first atom: 1136
Blocpdb> 17 atoms in block 73
Block first atom: 1151
Blocpdb> 14 atoms in block 74
Block first atom: 1168
Blocpdb> 17 atoms in block 75
Block first atom: 1182
Blocpdb> 15 atoms in block 76
Block first atom: 1199
Blocpdb> 14 atoms in block 77
Block first atom: 1214
Blocpdb> 17 atoms in block 78
Block first atom: 1228
Blocpdb> 15 atoms in block 79
Block first atom: 1245
Blocpdb> 18 atoms in block 80
Block first atom: 1260
Blocpdb> 23 atoms in block 81
Block first atom: 1278
Blocpdb> 15 atoms in block 82
Block first atom: 1301
Blocpdb> 19 atoms in block 83
Block first atom: 1316
Blocpdb> 15 atoms in block 84
Block first atom: 1335
Blocpdb> 19 atoms in block 85
Block first atom: 1350
Blocpdb> 16 atoms in block 86
Block first atom: 1369
Blocpdb> 11 atoms in block 87
Block first atom: 1385
Blocpdb> 16 atoms in block 88
Block first atom: 1396
Blocpdb> 20 atoms in block 89
Block first atom: 1412
Blocpdb> 8 atoms in block 90
Block first atom: 1432
Blocpdb> 17 atoms in block 91
Block first atom: 1440
Blocpdb> 11 atoms in block 92
Block first atom: 1457
Blocpdb> 13 atoms in block 93
Block first atom: 1468
Blocpdb> 14 atoms in block 94
Block first atom: 1481
Blocpdb> 8 atoms in block 95
Block first atom: 1495
Blocpdb> 15 atoms in block 96
Block first atom: 1503
Blocpdb> 12 atoms in block 97
Block first atom: 1518
Blocpdb> 19 atoms in block 98
Block first atom: 1530
Blocpdb> 17 atoms in block 99
Block first atom: 1549
Blocpdb> 21 atoms in block 100
Block first atom: 1566
Blocpdb> 18 atoms in block 101
Block first atom: 1587
Blocpdb> 11 atoms in block 102
Block first atom: 1605
Blocpdb> 15 atoms in block 103
Block first atom: 1616
Blocpdb> 20 atoms in block 104
Block first atom: 1631
Blocpdb> 14 atoms in block 105
Block first atom: 1651
Blocpdb> 10 atoms in block 106
Block first atom: 1665
Blocpdb> 14 atoms in block 107
Block first atom: 1675
Blocpdb> 20 atoms in block 108
Block first atom: 1689
Blocpdb> 18 atoms in block 109
Block first atom: 1709
Blocpdb> 12 atoms in block 110
Block first atom: 1727
Blocpdb> 19 atoms in block 111
Block first atom: 1739
Blocpdb> 15 atoms in block 112
Block first atom: 1758
Blocpdb> 16 atoms in block 113
Block first atom: 1773
Blocpdb> 19 atoms in block 114
Block first atom: 1789
Blocpdb> 22 atoms in block 115
Block first atom: 1808
Blocpdb> 16 atoms in block 116
Block first atom: 1830
Blocpdb> 18 atoms in block 117
Block first atom: 1846
Blocpdb> 16 atoms in block 118
Block first atom: 1864
Blocpdb> 13 atoms in block 119
Block first atom: 1879
Blocpdb> 119 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 3477047 matrix lines read.
Prepmat> Matrix order = 5676
Prepmat> Matrix trace = 7702280.0000
Prepmat> Last element read: 5676 5676 601.7020
Prepmat> 7141 lines saved.
Prepmat> 3844 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 1892
RTB> Total mass = 1892.0000
RTB> Number of atoms found in matrix: 1892
RTB> Number of blocks = 119
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 946098.9934
RTB> 116871 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 714
Diagstd> Nb of non-zero elements: 116871
Diagstd> Projected matrix trace = 946098.9934
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 714 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 946098.9934
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 93.7096300 104.2757758 114.2066451 148.0314727
157.4668726 183.3753702 194.9435956 202.5025819 220.5762549
230.2787963 235.6357264 236.5236124 262.4958527 271.5275907
279.1653841 290.4051240 293.4995360 298.2092057 304.1471749
311.2979706 317.9551076 320.2008208 329.1065189 333.4039945
346.2667238 350.2878716 353.8180195 360.6264343 369.1660692
375.3879386 378.7355113 385.0098052 398.4256123 407.6462496
410.9069446 416.5901947 423.1931338 425.3219456 432.9984515
437.0528593 447.1857528 453.5849555 457.3925034 463.7840849
467.7905519 477.3580425 481.0123546 484.6812769 490.2187681
491.7810340 496.9625257 502.2661567 509.5965018 515.3796112
522.5785434 535.1541490 536.6321895 541.8786978 548.6751941
553.9256860 556.5766075 558.8716697 569.7678036 574.7389240
575.6837632 580.4412410 584.2981660 589.7224377 599.1000726
604.0564755 609.8608264 612.5655565 615.1547836 621.5041182
622.9786151 630.0170961 632.8922269 638.7612929 643.4432865
649.0514947 652.1111327 656.2589452 661.3160389 662.1684830
668.0591467 669.3836028 674.2973246 677.8398005 682.8712914
688.8722472 690.6548231 691.4504629 694.2438502 702.2426328
703.5147394 709.0053814 716.6697965 721.5975218 724.0795169
727.2575905
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034232 0.0034288 0.0034311 0.0034325 0.0034335
0.0034382 1051.2049370 1108.8862416 1160.4888371 1321.2113935
1362.6674480 1470.5025505 1516.1765187 1545.2920227 1612.7782563
1647.8673752 1666.9241900 1670.0617601 1759.3672494 1789.3786996
1814.3708637 1850.5354868 1860.3685532 1875.2354449 1893.8133499
1915.9467080 1936.3246902 1943.1507775 1969.9877369 1982.8080784
2020.6944993 2032.3936555 2042.6090598 2062.1680753 2086.4412911
2103.9501104 2113.3104187 2130.7435147 2167.5489033 2192.4868932
2201.2380984 2216.4084751 2233.9044160 2239.5160341 2259.6358266
2270.1902972 2296.3562259 2312.7282269 2322.4148588 2338.5852220
2348.6646070 2372.5610820 2381.6250844 2390.6907544 2404.3088078
2408.1368760 2420.7899121 2433.6730801 2451.3679252 2465.2382474
2482.3960256 2512.0873044 2515.5539754 2527.8210119 2543.6241709
2555.7656708 2561.8739338 2567.1504863 2592.0551198 2603.3381673
2605.4771609 2616.2209031 2624.8986641 2637.0545052 2657.9387355
2668.9107591 2681.7028234 2687.6429147 2693.3170664 2707.1809519
2710.3903959 2725.6585362 2731.8708314 2744.5084731 2754.5484604
2766.5266458 2773.0397021 2781.8448091 2792.5426076 2794.3418381
2806.7435774 2809.5244448 2819.8174810 2827.2148483 2837.6884188
2850.1297051 2853.8149241 2855.4582596 2861.2203216 2877.6559983
2880.2612438 2891.4790235 2907.0655943 2917.0427696 2922.0551696
2928.4607773
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1892
Rtb_to_modes> Number of blocs = 119
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9375E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9701E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9831E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9912E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0025E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 93.71
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 114.2
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 148.0
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 157.5
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 183.4
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 194.9
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 202.5
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 220.6
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 230.3
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 235.6
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 236.5
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 262.5
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 271.5
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 279.2
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 290.4
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 293.5
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 298.2
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 304.1
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 311.3
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 318.0
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 320.2
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 329.1
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 333.4
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 346.3
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 350.3
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 353.8
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 360.6
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 369.2
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 375.4
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 378.7
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 385.0
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 398.4
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 407.6
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 410.9
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 416.6
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 423.2
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 425.3
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 433.0
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 437.1
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 447.2
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 453.6
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 457.4
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 463.8
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 467.8
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 477.4
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 481.0
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 484.7
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 490.2
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 491.8
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 497.0
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 502.3
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 509.6
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 515.4
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 522.6
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 535.2
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 536.6
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 541.9
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 548.7
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 553.9
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 556.6
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 558.9
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 569.8
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 574.7
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 575.7
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 580.4
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 584.3
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 589.7
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 599.1
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 604.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 609.9
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 612.6
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 615.2
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 621.5
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 623.0
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 630.0
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 632.9
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 638.8
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 643.4
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 649.1
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 652.1
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 656.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 661.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 662.2
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 668.1
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 669.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 674.3
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 677.8
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 682.9
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 688.9
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 690.7
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 691.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 694.2
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 702.2
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 703.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 709.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 716.7
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 721.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 724.1
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 727.3
Rtb_to_modes> 106 vectors, with 714 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99996 1.00001 0.99999
1.00000 1.00004 1.00001 0.99997 0.99994
0.99999 1.00002 1.00001 0.99998 1.00003
1.00004 1.00001 1.00003 1.00000 1.00003
1.00000 1.00000 0.99998 0.99996 0.99995
0.99998 0.99999 1.00002 0.99999 1.00003
0.99999 0.99999 0.99999 1.00000 1.00002
1.00002 1.00000 1.00000 0.99999 1.00000
1.00002 0.99999 1.00001 1.00002 0.99999
0.99999 1.00002 0.99997 1.00001 1.00002
0.99998 1.00001 1.00003 1.00000 0.99998
0.99997 0.99995 0.99999 0.99997 1.00000
1.00000 1.00002 1.00001 0.99999 1.00003
1.00000 0.99997 1.00000 0.99999 0.99998
1.00000 1.00001 1.00000 1.00005 1.00003
0.99999 0.99998 1.00003 0.99998 1.00002
1.00001 0.99998 0.99999 1.00002 0.99998
1.00002 0.99998 1.00004 0.99999 0.99999
0.99998 1.00000 1.00001 0.99997 1.00000
0.99999 1.00002 0.99998 0.99998 0.99999
0.99996 1.00001 1.00000 1.00002 1.00004
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 34056 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99996 1.00001 0.99999
1.00000 1.00004 1.00001 0.99997 0.99994
0.99999 1.00002 1.00001 0.99998 1.00003
1.00004 1.00001 1.00003 1.00000 1.00003
1.00000 1.00000 0.99998 0.99996 0.99995
0.99998 0.99999 1.00002 0.99999 1.00003
0.99999 0.99999 0.99999 1.00000 1.00002
1.00002 1.00000 1.00000 0.99999 1.00000
1.00002 0.99999 1.00001 1.00002 0.99999
0.99999 1.00002 0.99997 1.00001 1.00002
0.99998 1.00001 1.00003 1.00000 0.99998
0.99997 0.99995 0.99999 0.99997 1.00000
1.00000 1.00002 1.00001 0.99999 1.00003
1.00000 0.99997 1.00000 0.99999 0.99998
1.00000 1.00001 1.00000 1.00005 1.00003
0.99999 0.99998 1.00003 0.99998 1.00002
1.00001 0.99998 0.99999 1.00002 0.99998
1.00002 0.99998 1.00004 0.99999 0.99999
0.99998 1.00000 1.00001 0.99997 1.00000
0.99999 1.00002 0.99998 0.99998 0.99999
0.99996 1.00001 1.00000 1.00002 1.00004
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6:-0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000-0.000-0.000 0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000 0.000-0.000
Vector 9:-0.000 0.000 0.000-0.000-0.000 0.000-0.000 0.000
Vector 10:-0.000 0.000-0.000 0.000-0.000-0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602061647033086323.eigenfacs
Openam> file on opening on unit 10:
2602061647033086323.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602061647033086323.atom
Openam> file on opening on unit 11:
2602061647033086323.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1892
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9375E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9701E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9831E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9912E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 93.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 114.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 148.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 157.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 183.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 194.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 202.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 220.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 230.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 235.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 236.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 262.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 271.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 279.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 290.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 293.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 298.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 304.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 311.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 318.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 320.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 329.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 333.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 346.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 350.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 353.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 360.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 369.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 375.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 378.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 385.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 398.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 407.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 410.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 416.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 423.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 425.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 433.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 437.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 447.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 453.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 457.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 463.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 467.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 477.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 481.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 484.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 490.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 491.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 497.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 502.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 509.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 515.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 522.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 535.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 536.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 541.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 548.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 553.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 556.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 558.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 569.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 574.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 575.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 580.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 584.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 589.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 599.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 604.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 609.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 612.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 615.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 621.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 623.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 630.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 632.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 638.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 643.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 649.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 652.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 656.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 661.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 662.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 668.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 669.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 674.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 677.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 682.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 688.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 690.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 691.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 694.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 702.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 703.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 709.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 716.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 721.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 724.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 727.3
Bfactors> 106 vectors, 5676 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 93.710000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.618 for 238 C-alpha atoms.
Bfactors> = 0.001 +/- 0.00
Bfactors> = 97.095 +/- 4.48
Bfactors> Shiftng-fct= 97.094
Bfactors> Scaling-fct= 1966.247
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602061647033086323.eigenfacs
Openam> file on opening on unit 10:
2602061647033086323.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4231E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4287E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4309E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4323E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4381E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 1051.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 1109.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 1160.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 1321.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 1363.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 1471.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 1516.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 1545.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 1613.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 1648.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 1667.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 1670.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 1759.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 1789.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 1814.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 1850.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 1860.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 1875.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 1894.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 1916.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 1936.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 1943.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 1970.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 1983.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 2021.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 2032.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 2042.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 2062.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 2086.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 2104.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 2113.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 2131.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 2167.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 2192.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 2201.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 2216.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 2234.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 2239.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 2260.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 2270.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 2296.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 2313.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 2322.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 2339.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 2349.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 2373.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 2381.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 2391.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 2404.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 2408.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 2421.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 2434.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 2451.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 2465.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 2482.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 2512.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 2515.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 2528.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 2544.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 2556.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 2562.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 2567.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 2592.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 2603.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 2605.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 2616.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 2625.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 2637.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 2658.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 2669.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 2682.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 2688.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 2693.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 2707.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 2710.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 2726.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 2732.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 2744.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 2754.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 2767.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 2773.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 2782.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 2792.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 2794.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 2807.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 2809.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 2820.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 2827.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 2838.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 2850.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 2854.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 2855.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 2861.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 2877.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 2880.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 2891.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 2907.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 2917.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 2922.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 2928.
Chkmod> 106 vectors, 5676 coordinates in file.
Chkmod> That is: 1892 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 10 is: 0.9998 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 25 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 57 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 74 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.9498
0.0034 0.9723
0.0034 0.6873
0.0034 0.9411
0.0034 0.8281
0.0034 0.7633
1051.1619 0.0880
1108.9674 0.2885
1160.4053 0.2084
1321.0142 0.0473
1362.7523 0.3028
1470.5382 0.1026
1515.9419 0.1946
1545.2158 0.2665
1612.7958 0.0997
1647.8725 0.1653
1666.7263 0.1839
1669.9067 0.1116
1759.3056 0.2597
1789.2110 0.1049
1814.4055 0.1800
1850.4397 0.0880
1860.2902 0.1259
1875.1260 0.0964
1893.5852 0.0996
1915.8707 0.0352
1936.3783 0.1937
1943.0649 0.1788
1969.8837 0.1592
1982.7111 0.0940
2020.7048 0.1839
2032.3416 0.2656
2042.4694 0.1728
2062.0040 0.1519
2086.4476 0.0965
2103.8936 0.4092
2113.1206 0.1562
2130.6249 0.1105
2167.3862 0.2547
2192.2684 0.2770
2201.1250 0.1722
2216.3394 0.3644
2233.8266 0.1519
2239.3621 0.0777
2259.5429 0.3441
2270.2153 0.2491
2296.2942 0.2442
2312.6673 0.1535
2322.3342 0.2881
2338.5250 0.1240
2348.5875 0.0687
2372.5635 0.2680
2381.4923 0.2593
2390.6343 0.1762
2404.1596 0.1637
2408.0799 0.2477
2420.7773 0.1437
2433.6506 0.2611
2451.2711 0.2751
2465.1812 0.1660
2482.3404 0.1843
2512.0871 0.2036
2515.3705 0.1634
2527.7622 0.1221
2543.5725 0.2065
2555.5967 0.2247
2561.8178 0.2460
2567.1053 0.2577
2592.0171 0.2088
2603.1383 0.2309
2605.4021 0.2836
2616.0157 0.1771
2624.7901 0.1454
2636.8911 0.1421
2657.8245 0.1223
2668.8923 0.0541
2681.6738 0.2685
2687.6031 0.1516
2693.3004 0.2475
2707.0558 0.3072
2710.3206 0.1830
2725.5046 0.1565
2731.7703 0.2677
2744.4738 0.2676
2754.3376 0.4393
2766.5113 0.1311
2772.8970 0.2690
2781.8124 0.1055
2792.3889 0.1555
2794.2884 0.1148
2806.7089 0.0841
2809.4382 0.2787
2819.7020 0.1792
2827.0105 0.1918
2837.6263 0.2305
2850.0648 0.3384
2853.7857 0.1961
2855.4380 0.3119
2861.0071 0.2184
2877.4451 0.2066
2880.1074 0.2609
2891.3439 0.3905
2907.0021 0.1614
2916.9226 0.1862
2921.9711 0.1739
2928.4204 0.2286
getting mode 7
running: ../../bin/get_modes.sh 2602061647033086323 7 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2602061647033086323 8 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2602061647033086323 9 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2602061647033086323 10 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2602061647033086323 11 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2602061647033086323 12 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2602061647033086323 13 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2602061647033086323 14 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2602061647033086323 15 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2602061647033086323 16 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2602061647033086323 17 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2602061647033086323 18 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2602061647033086323 19 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2602061647033086323 20 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2602061647033086323 21 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2602061647033086323 22 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2602061647033086323 23 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2602061647033086323 24 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2602061647033086323 25 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2602061647033086323 26 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2602061647033086323 27 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2602061647033086323 28 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2602061647033086323 29 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2602061647033086323 30 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2602061647033086323 31 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=-50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=0
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=50
2602061647033086323.eigenfacs
2602061647033086323.atom
calculating perturbed structure for DQ=100
2602061647033086323.eigenfacs
2602061647033086323.atom
making animated gifs
5 models are in 2602061647033086323.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602061647033086323.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2602061647033086323.10.pdb
2602061647033086323.11.pdb
2602061647033086323.12.pdb
2602061647033086323.13.pdb
2602061647033086323.14.pdb
2602061647033086323.15.pdb
2602061647033086323.16.pdb
2602061647033086323.17.pdb
2602061647033086323.18.pdb
2602061647033086323.19.pdb
2602061647033086323.20.pdb
2602061647033086323.21.pdb
2602061647033086323.22.pdb
2602061647033086323.23.pdb
2602061647033086323.24.pdb
2602061647033086323.25.pdb
2602061647033086323.26.pdb
2602061647033086323.27.pdb
2602061647033086323.28.pdb
2602061647033086323.29.pdb
2602061647033086323.30.pdb
2602061647033086323.31.pdb
2602061647033086323.7.pdb
2602061647033086323.8.pdb
2602061647033086323.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.225s
user 0m8.044s
sys 0m0.177s
rm: cannot remove '2602061647033086323.sdijf': No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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