*** ***
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 = 230101190352136506.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 230101190352136506.atom to be opened.
Openam> File opened: 230101190352136506.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 = 325
First residue number = 1
Last residue number = 325
Number of atoms found = 2619
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -0.380924 +/- 11.965282 From: -31.689000 To: 23.192000
= -2.806800 +/- 10.698338 From: -34.691000 To: 19.523000
= -1.327115 +/- 12.650053 From: -31.357000 To: 26.663000
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 3.0184 % Filled.
Pdbmat> 931780 non-zero elements.
Pdbmat> 101799 atom-atom interactions.
Pdbmat> Number per atom= 77.74 +/- 24.36
Maximum number = 127
Minimum number = 8
Pdbmat> Matrix trace = 2.035980E+06
Pdbmat> Larger element = 493.977
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
325 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 = 230101190352136506.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 230101190352136506.atom to be opened.
Openam> file on opening on unit 11:
230101190352136506.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2619 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> 325 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 20
Blocpdb> 19 atoms in block 3
Block first atom: 36
Blocpdb> 12 atoms in block 4
Block first atom: 55
Blocpdb> 17 atoms in block 5
Block first atom: 67
Blocpdb> 17 atoms in block 6
Block first atom: 84
Blocpdb> 17 atoms in block 7
Block first atom: 101
Blocpdb> 17 atoms in block 8
Block first atom: 118
Blocpdb> 12 atoms in block 9
Block first atom: 135
Blocpdb> 13 atoms in block 10
Block first atom: 147
Blocpdb> 15 atoms in block 11
Block first atom: 160
Blocpdb> 12 atoms in block 12
Block first atom: 175
Blocpdb> 19 atoms in block 13
Block first atom: 187
Blocpdb> 13 atoms in block 14
Block first atom: 206
Blocpdb> 19 atoms in block 15
Block first atom: 219
Blocpdb> 15 atoms in block 16
Block first atom: 238
Blocpdb> 16 atoms in block 17
Block first atom: 253
Blocpdb> 17 atoms in block 18
Block first atom: 269
Blocpdb> 12 atoms in block 19
Block first atom: 286
Blocpdb> 20 atoms in block 20
Block first atom: 298
Blocpdb> 16 atoms in block 21
Block first atom: 318
Blocpdb> 19 atoms in block 22
Block first atom: 334
Blocpdb> 12 atoms in block 23
Block first atom: 353
Blocpdb> 13 atoms in block 24
Block first atom: 365
Blocpdb> 12 atoms in block 25
Block first atom: 378
Blocpdb> 20 atoms in block 26
Block first atom: 390
Blocpdb> 17 atoms in block 27
Block first atom: 410
Blocpdb> 16 atoms in block 28
Block first atom: 427
Blocpdb> 16 atoms in block 29
Block first atom: 443
Blocpdb> 13 atoms in block 30
Block first atom: 459
Blocpdb> 17 atoms in block 31
Block first atom: 472
Blocpdb> 19 atoms in block 32
Block first atom: 489
Blocpdb> 19 atoms in block 33
Block first atom: 508
Blocpdb> 15 atoms in block 34
Block first atom: 527
Blocpdb> 19 atoms in block 35
Block first atom: 542
Blocpdb> 12 atoms in block 36
Block first atom: 561
Blocpdb> 17 atoms in block 37
Block first atom: 573
Blocpdb> 17 atoms in block 38
Block first atom: 590
Blocpdb> 19 atoms in block 39
Block first atom: 607
Blocpdb> 18 atoms in block 40
Block first atom: 626
Blocpdb> 16 atoms in block 41
Block first atom: 644
Blocpdb> 20 atoms in block 42
Block first atom: 660
Blocpdb> 21 atoms in block 43
Block first atom: 680
Blocpdb> 18 atoms in block 44
Block first atom: 701
Blocpdb> 17 atoms in block 45
Block first atom: 719
Blocpdb> 14 atoms in block 46
Block first atom: 736
Blocpdb> 20 atoms in block 47
Block first atom: 750
Blocpdb> 20 atoms in block 48
Block first atom: 770
Blocpdb> 17 atoms in block 49
Block first atom: 790
Blocpdb> 16 atoms in block 50
Block first atom: 807
Blocpdb> 18 atoms in block 51
Block first atom: 823
Blocpdb> 20 atoms in block 52
Block first atom: 841
Blocpdb> 15 atoms in block 53
Block first atom: 861
Blocpdb> 24 atoms in block 54
Block first atom: 876
Blocpdb> 16 atoms in block 55
Block first atom: 900
Blocpdb> 21 atoms in block 56
Block first atom: 916
Blocpdb> 16 atoms in block 57
Block first atom: 937
Blocpdb> 15 atoms in block 58
Block first atom: 953
Blocpdb> 13 atoms in block 59
Block first atom: 968
Blocpdb> 15 atoms in block 60
Block first atom: 981
Blocpdb> 16 atoms in block 61
Block first atom: 996
Blocpdb> 20 atoms in block 62
Block first atom: 1012
Blocpdb> 19 atoms in block 63
Block first atom: 1032
Blocpdb> 14 atoms in block 64
Block first atom: 1051
Blocpdb> 18 atoms in block 65
Block first atom: 1065
Blocpdb> 17 atoms in block 66
Block first atom: 1083
Blocpdb> 18 atoms in block 67
Block first atom: 1100
Blocpdb> 14 atoms in block 68
Block first atom: 1118
Blocpdb> 17 atoms in block 69
Block first atom: 1132
Blocpdb> 13 atoms in block 70
Block first atom: 1149
Blocpdb> 16 atoms in block 71
Block first atom: 1162
Blocpdb> 16 atoms in block 72
Block first atom: 1178
Blocpdb> 16 atoms in block 73
Block first atom: 1194
Blocpdb> 17 atoms in block 74
Block first atom: 1210
Blocpdb> 13 atoms in block 75
Block first atom: 1227
Blocpdb> 17 atoms in block 76
Block first atom: 1240
Blocpdb> 14 atoms in block 77
Block first atom: 1257
Blocpdb> 15 atoms in block 78
Block first atom: 1271
Blocpdb> 13 atoms in block 79
Block first atom: 1286
Blocpdb> 19 atoms in block 80
Block first atom: 1299
Blocpdb> 12 atoms in block 81
Block first atom: 1318
Blocpdb> 16 atoms in block 82
Block first atom: 1330
Blocpdb> 17 atoms in block 83
Block first atom: 1346
Blocpdb> 13 atoms in block 84
Block first atom: 1363
Blocpdb> 15 atoms in block 85
Block first atom: 1376
Blocpdb> 14 atoms in block 86
Block first atom: 1391
Blocpdb> 13 atoms in block 87
Block first atom: 1405
Blocpdb> 11 atoms in block 88
Block first atom: 1418
Blocpdb> 16 atoms in block 89
Block first atom: 1429
Blocpdb> 20 atoms in block 90
Block first atom: 1445
Blocpdb> 13 atoms in block 91
Block first atom: 1465
Blocpdb> 21 atoms in block 92
Block first atom: 1478
Blocpdb> 13 atoms in block 93
Block first atom: 1499
Blocpdb> 12 atoms in block 94
Block first atom: 1512
Blocpdb> 20 atoms in block 95
Block first atom: 1524
Blocpdb> 13 atoms in block 96
Block first atom: 1544
Blocpdb> 15 atoms in block 97
Block first atom: 1557
Blocpdb> 15 atoms in block 98
Block first atom: 1572
Blocpdb> 17 atoms in block 99
Block first atom: 1587
Blocpdb> 15 atoms in block 100
Block first atom: 1604
Blocpdb> 15 atoms in block 101
Block first atom: 1619
Blocpdb> 16 atoms in block 102
Block first atom: 1634
Blocpdb> 17 atoms in block 103
Block first atom: 1650
Blocpdb> 13 atoms in block 104
Block first atom: 1667
Blocpdb> 13 atoms in block 105
Block first atom: 1680
Blocpdb> 19 atoms in block 106
Block first atom: 1693
Blocpdb> 15 atoms in block 107
Block first atom: 1712
Blocpdb> 20 atoms in block 108
Block first atom: 1727
Blocpdb> 11 atoms in block 109
Block first atom: 1747
Blocpdb> 14 atoms in block 110
Block first atom: 1758
Blocpdb> 16 atoms in block 111
Block first atom: 1772
Blocpdb> 16 atoms in block 112
Block first atom: 1788
Blocpdb> 13 atoms in block 113
Block first atom: 1804
Blocpdb> 15 atoms in block 114
Block first atom: 1817
Blocpdb> 23 atoms in block 115
Block first atom: 1832
Blocpdb> 23 atoms in block 116
Block first atom: 1855
Blocpdb> 16 atoms in block 117
Block first atom: 1878
Blocpdb> 17 atoms in block 118
Block first atom: 1894
Blocpdb> 17 atoms in block 119
Block first atom: 1911
Blocpdb> 17 atoms in block 120
Block first atom: 1928
Blocpdb> 16 atoms in block 121
Block first atom: 1945
Blocpdb> 12 atoms in block 122
Block first atom: 1961
Blocpdb> 15 atoms in block 123
Block first atom: 1973
Blocpdb> 18 atoms in block 124
Block first atom: 1988
Blocpdb> 17 atoms in block 125
Block first atom: 2006
Blocpdb> 16 atoms in block 126
Block first atom: 2023
Blocpdb> 16 atoms in block 127
Block first atom: 2039
Blocpdb> 17 atoms in block 128
Block first atom: 2055
Blocpdb> 14 atoms in block 129
Block first atom: 2072
Blocpdb> 17 atoms in block 130
Block first atom: 2086
Blocpdb> 12 atoms in block 131
Block first atom: 2103
Blocpdb> 14 atoms in block 132
Block first atom: 2115
Blocpdb> 16 atoms in block 133
Block first atom: 2129
Blocpdb> 17 atoms in block 134
Block first atom: 2145
Blocpdb> 15 atoms in block 135
Block first atom: 2162
Blocpdb> 20 atoms in block 136
Block first atom: 2177
Blocpdb> 14 atoms in block 137
Block first atom: 2197
Blocpdb> 13 atoms in block 138
Block first atom: 2211
Blocpdb> 15 atoms in block 139
Block first atom: 2224
Blocpdb> 13 atoms in block 140
Block first atom: 2239
Blocpdb> 23 atoms in block 141
Block first atom: 2252
Blocpdb> 16 atoms in block 142
Block first atom: 2275
Blocpdb> 14 atoms in block 143
Block first atom: 2291
Blocpdb> 16 atoms in block 144
Block first atom: 2305
Blocpdb> 15 atoms in block 145
Block first atom: 2321
Blocpdb> 15 atoms in block 146
Block first atom: 2336
Blocpdb> 18 atoms in block 147
Block first atom: 2351
Blocpdb> 14 atoms in block 148
Block first atom: 2369
Blocpdb> 23 atoms in block 149
Block first atom: 2383
Blocpdb> 19 atoms in block 150
Block first atom: 2406
Blocpdb> 13 atoms in block 151
Block first atom: 2425
Blocpdb> 17 atoms in block 152
Block first atom: 2438
Blocpdb> 15 atoms in block 153
Block first atom: 2455
Blocpdb> 12 atoms in block 154
Block first atom: 2470
Blocpdb> 15 atoms in block 155
Block first atom: 2482
Blocpdb> 16 atoms in block 156
Block first atom: 2497
Blocpdb> 14 atoms in block 157
Block first atom: 2513
Blocpdb> 15 atoms in block 158
Block first atom: 2527
Blocpdb> 18 atoms in block 159
Block first atom: 2542
Blocpdb> 18 atoms in block 160
Block first atom: 2560
Blocpdb> 13 atoms in block 161
Block first atom: 2578
Blocpdb> 18 atoms in block 162
Block first atom: 2591
Blocpdb> 11 atoms in block 163
Block first atom: 2608
Blocpdb> 163 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 11 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> 931943 matrix lines read.
Prepmat> Matrix order = 7857
Prepmat> Matrix trace = 2035980.0000
Prepmat> Last element read: 7857 7857 94.5847
Prepmat> 13367 lines saved.
Prepmat> 11665 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: 2619
RTB> Total mass = 2619.0000
RTB> Number of atoms found in matrix: 2619
RTB> Number of blocks = 163
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 211743.4050
RTB> 58791 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 = 978
Diagstd> Nb of non-zero elements: 58791
Diagstd> Projected matrix trace = 211743.4050
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 978 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 211743.4050
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4174173 0.6869126 1.3770599 1.4783655
1.8117229 1.9422771 2.8975423 3.3536353 3.8561120
4.3625903 4.8549255 5.6891090 6.3409593 6.6727365
7.4213824 7.6977146 8.2244075 8.9097966 9.0005277
9.8542230 10.2523651 11.0618595 11.3663871 12.3023805
12.8347668 13.2888122 13.6549164 14.6535903 15.3971306
15.7918252 16.0925435 16.7737583 17.0988523 17.9318942
18.1702135 18.2858155 19.2312852 19.6424908 20.7202728
21.0265555 21.5084393 22.0012666 22.6374829 22.6723457
23.2167117 23.5707021 24.0692034 24.9303146 25.1754541
25.9490011 26.5585248 26.7747282 27.4945089 28.1046689
28.3777945 29.1408265 29.6158299 30.0931704 31.0754477
31.7082323 32.2325905 32.6265750 33.1720976 33.5679548
34.4052957 34.6194374 35.1280152 35.9425801 36.3557500
37.1051029 37.3789625 37.8353320 38.1958303 38.7408729
39.6237700 40.2468037 40.7419480 41.4953574 42.4689449
42.5555739 43.4943691 43.7621611 44.3441850 44.7434204
45.0046140 45.4529841 46.2773023 46.6998361 47.1979926
48.2343577 49.1308324 49.5365235 50.2180812 50.4943705
51.1354939 51.5178446 51.8919307 53.1046112 53.5981589
54.0878789
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034307 0.0034315 0.0034328 0.0034331 0.0034341
0.0034341 70.1585376 90.0007309 127.4300059 132.0341237
146.1642535 151.3390046 184.8460488 198.8626373 213.2407002
226.8127652 239.2690726 259.0105232 273.4467472 280.5093012
295.8269161 301.2840799 311.4207810 324.1374222 325.7836373
340.8838870 347.7020980 361.1680702 366.1057088 380.8814817
389.0355336 395.8570308 401.2728741 415.6878238 426.1035735
431.5304476 435.6198153 444.7443825 449.0335191 459.8417128
462.8873316 464.3574818 476.2110128 481.2752844 494.3027367
497.9426739 503.6162431 509.3532980 516.6653636 517.0630551
523.2336111 527.2074516 532.7532879 542.1995586 544.8587584
553.1661578 559.6251896 561.8984262 569.4010500 575.6844740
578.4750071 586.2005385 590.9588407 595.7022663 605.3464189
611.4786473 616.5139180 620.2703519 625.4343757 629.1550998
636.9537924 638.9329465 643.6089670 651.0283557 654.7595393
661.4729678 663.9095285 667.9501552 671.1247544 675.8961638
683.5545479 688.9076038 693.1323601 699.5117842 707.6703762
708.3917683 716.1628649 718.3641665 723.1254040 726.3732974
728.4903456 732.1102386 738.7190475 742.0838131 746.0312924
754.1774278 761.1536621 764.2897625 769.5296143 771.6436050
776.5269052 779.4246250 782.2493213 791.3368627 795.0056516
798.6293295
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2619
Rtb_to_modes> Number of blocs = 163
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: 9.9812E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9856E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9932E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9949E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4174
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.6869
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.377
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.478
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.812
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.942
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.898
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.354
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.856
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.363
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.855
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.689
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.341
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.673
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.421
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.698
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.224
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.910
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.001
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.854
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.25
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 11.06
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 12.30
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 12.83
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 13.29
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.65
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 14.65
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 15.79
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 16.09
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 16.77
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 17.93
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 18.17
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 18.29
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 19.64
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 20.72
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 21.03
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 21.51
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 22.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 22.64
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 23.22
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 23.57
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 24.07
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 24.93
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 25.18
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 25.95
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 26.56
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 26.77
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 27.49
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 28.10
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 28.38
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 29.14
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 29.62
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 30.09
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 31.71
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 32.63
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.17
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 33.57
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.41
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 34.62
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 35.13
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 35.94
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 36.36
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.11
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 37.38
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 38.20
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 38.74
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 39.62
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 40.25
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 40.74
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 41.50
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 42.47
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 42.56
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 43.49
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 43.76
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 44.34
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 44.74
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 45.00
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 45.45
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 46.28
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 46.70
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 47.20
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 48.23
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 49.13
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 49.54
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 50.22
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 50.49
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 51.14
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 51.52
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 51.89
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 53.10
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 53.60
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 54.09
Rtb_to_modes> 106 vectors, with 978 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 0.99994 0.99998 1.00003 1.00002
1.00000 0.99996 0.99999 1.00004 1.00003
0.99998 0.99999 0.99998 0.99998 1.00002
1.00001 1.00000 1.00000 1.00001 1.00003
1.00001 0.99997 0.99997 1.00000 0.99999
0.99998 1.00003 0.99999 1.00001 1.00001
1.00003 1.00000 1.00000 1.00000 1.00000
0.99999 1.00001 1.00000 1.00003 0.99998
1.00002 1.00001 0.99997 1.00002 1.00002
0.99999 0.99999 1.00003 1.00000 0.99998
1.00001 0.99998 0.99998 1.00000 0.99998
0.99999 1.00001 1.00001 0.99998 1.00003
0.99998 0.99999 1.00002 1.00001 1.00000
0.99998 0.99998 1.00000 0.99997 0.99997
1.00002 1.00002 0.99998 1.00000 1.00000
0.99997 0.99998 1.00001 0.99997 1.00002
1.00002 1.00000 1.00001 1.00002 1.00001
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 1.00000 1.00001 1.00000 1.00002
0.99998 0.99999 1.00000 0.99997 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 47142 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 0.99994 0.99998 1.00003 1.00002
1.00000 0.99996 0.99999 1.00004 1.00003
0.99998 0.99999 0.99998 0.99998 1.00002
1.00001 1.00000 1.00000 1.00001 1.00003
1.00001 0.99997 0.99997 1.00000 0.99999
0.99998 1.00003 0.99999 1.00001 1.00001
1.00003 1.00000 1.00000 1.00000 1.00000
0.99999 1.00001 1.00000 1.00003 0.99998
1.00002 1.00001 0.99997 1.00002 1.00002
0.99999 0.99999 1.00003 1.00000 0.99998
1.00001 0.99998 0.99998 1.00000 0.99998
0.99999 1.00001 1.00001 0.99998 1.00003
0.99998 0.99999 1.00002 1.00001 1.00000
0.99998 0.99998 1.00000 0.99997 0.99997
1.00002 1.00002 0.99998 1.00000 1.00000
0.99997 0.99998 1.00001 0.99997 1.00002
1.00002 1.00000 1.00001 1.00002 1.00001
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 1.00000 1.00001 1.00000 1.00002
0.99998 0.99999 1.00000 0.99997 1.00001
1.00001
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> 230101190352136506.eigenfacs
Openam> file on opening on unit 10:
230101190352136506.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 230101190352136506.atom
Openam> file on opening on unit 11:
230101190352136506.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 = 325
First residue number = 1
Last residue number = 325
Number of atoms found = 2619
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9812E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9856E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9932E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9949E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.855
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.001
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 11.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 12.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 13.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 16.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 18.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 18.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 20.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 21.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 21.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 22.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 23.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 23.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 24.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 24.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 25.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 25.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 26.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 26.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 28.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 28.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 29.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 29.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 30.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 31.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 32.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 33.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 34.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 35.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 35.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 36.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 37.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 38.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 38.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 39.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 40.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 40.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 41.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 42.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 42.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 43.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 43.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 44.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 44.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 45.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 45.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 46.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 46.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 47.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 48.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 49.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 49.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 50.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 50.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 51.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 51.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 51.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 53.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 53.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 54.09
Bfactors> 106 vectors, 7857 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.417400
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= -0.659 for 325 C-alpha atoms.
Bfactors> = 0.058 +/- 0.17
Bfactors> = 83.602 +/- 18.30
Bfactors> Shiftng-fct= 83.544
Bfactors> Scaling-fct= 109.596
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 230101190352136506.eigenfacs
Openam> file on opening on unit 10:
230101190352136506.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4306E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4313E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4326E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4329E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 70.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 90.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 127.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 132.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 146.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 151.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 184.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 198.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 213.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 226.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 239.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 259.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 273.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 280.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 295.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 301.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 311.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 324.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 325.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 340.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 347.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 361.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 366.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 380.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 388.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 395.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 401.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 415.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 426.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 431.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 435.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 444.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 449.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 459.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 462.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 464.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 476.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 481.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 494.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 498.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 503.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 509.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 516.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 517.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 523.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 527.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 532.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 542.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 544.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 553.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 559.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 561.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 569.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 575.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 578.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 586.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 591.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 595.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 605.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 611.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 616.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 620.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 625.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 629.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 637.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 638.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 643.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 651.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 654.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 661.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 663.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 668.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 671.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 675.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 683.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 688.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 693.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 699.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 707.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 708.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 716.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 718.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 723.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 726.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 728.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 732.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 738.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 742.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 746.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 754.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 761.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 764.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 769.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 771.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 776.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 779.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 782.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 791.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 795.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 798.6
Chkmod> 106 vectors, 7857 coordinates in file.
Chkmod> That is: 2619 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 7 is: 0.9998 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 27 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 28 is: 0.9999 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7315
0.0034 0.7829
0.0034 0.8012
0.0034 0.9828
0.0034 0.8719
0.0034 0.9997
70.1541 0.0154
89.9960 0.0860
127.4218 0.2354
132.0121 0.0454
146.1692 0.3458
151.3217 0.2030
184.8527 0.0425
198.8649 0.3806
213.2284 0.0461
226.8137 0.1483
239.2606 0.1461
258.9969 0.1348
273.4359 0.3702
280.5028 0.0857
295.8066 0.1197
301.2767 0.1291
311.3997 0.4423
324.1272 0.5014
325.7782 0.4550
340.8654 0.4441
347.6471 0.1447
361.1222 0.2231
366.1482 0.1768
380.8283 0.1724
388.9466 0.2935
395.8577 0.2109
401.1834 0.1190
415.6191 0.3975
426.1250 0.3970
431.4870 0.1062
435.5667 0.0647
444.6755 0.4002
449.0293 0.2410
459.7977 0.3354
462.8647 0.3470
464.3907 0.3472
476.1747 0.3366
481.2241 0.1198
494.2783 0.2772
497.9621 0.4284
503.6129 0.4444
509.3168 0.3090
516.6719 0.1714
517.0141 0.1435
523.2482 0.1890
527.1770 0.3544
532.7392 0.5109
542.1729 0.2904
544.8846 0.2947
553.1531 0.4376
559.6167 0.3955
561.8247 0.3667
569.3299 0.5062
575.6119 0.2918
578.4727 0.2406
586.1671 0.3795
590.9751 0.3483
595.6453 0.2923
605.3648 0.3791
611.4694 0.3839
616.4627 0.4629
620.2763 0.4095
625.3878 0.3665
629.1473 0.4040
636.9700 0.4115
638.9107 0.4146
643.5995 0.2906
650.9770 0.3425
654.7697 0.3491
661.4882 0.3783
663.8902 0.1939
667.9627 0.3897
671.1326 0.3467
675.8595 0.1884
683.4927 0.3476
688.9054 0.4577
693.0860 0.3848
699.5209 0.4044
707.6488 0.3931
708.3982 0.4201
716.0962 0.4107
718.3156 0.3147
723.0602 0.1521
726.3144 0.3853
728.4217 0.4302
732.0548 0.4895
738.7089 0.3668
742.0533 0.4078
746.0151 0.4416
754.1110 0.2283
761.1145 0.2468
764.2838 0.3378
769.5113 0.4164
771.5771 0.4008
776.5278 0.3872
779.4075 0.2252
782.2012 0.3509
791.2685 0.3042
794.9852 0.3432
798.6107 0.2256
getting mode 7
running: ../../bin/get_modes.sh 230101190352136506 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 230101190352136506 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 230101190352136506 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 230101190352136506 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 230101190352136506 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 230101190352136506 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 230101190352136506 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 230101190352136506 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 230101190352136506 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 230101190352136506 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 230101190352136506 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 230101190352136506 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 230101190352136506 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 230101190352136506 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 230101190352136506 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 230101190352136506 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 230101190352136506 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 230101190352136506 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 230101190352136506 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 230101190352136506 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 230101190352136506 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 230101190352136506 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 230101190352136506 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 230101190352136506 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 230101190352136506 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=-20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=0
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=20
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=40
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=60
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=80
230101190352136506.eigenfacs
230101190352136506.atom
calculating perturbed structure for DQ=100
230101190352136506.eigenfacs
230101190352136506.atom
making animated gifs
11 models are in 230101190352136506.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 230101190352136506.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
230101190352136506.10.pdb
230101190352136506.11.pdb
230101190352136506.12.pdb
230101190352136506.13.pdb
230101190352136506.14.pdb
230101190352136506.15.pdb
230101190352136506.16.pdb
230101190352136506.17.pdb
230101190352136506.18.pdb
230101190352136506.19.pdb
230101190352136506.20.pdb
230101190352136506.21.pdb
230101190352136506.22.pdb
230101190352136506.23.pdb
230101190352136506.24.pdb
230101190352136506.25.pdb
230101190352136506.26.pdb
230101190352136506.27.pdb
230101190352136506.28.pdb
230101190352136506.29.pdb
230101190352136506.30.pdb
230101190352136506.31.pdb
230101190352136506.7.pdb
230101190352136506.8.pdb
230101190352136506.9.pdb
STDERR:
real 0m11.918s
user 0m11.856s
sys 0m0.056s
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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).
Last modification: October 18th, 2018.
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