*** ***
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 = 2402132254012667902.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 2402132254012667902.atom to be opened.
Openam> File opened: 2402132254012667902.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 = 323
First residue number = 1
Last residue number = 323
Number of atoms found = 2645
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= 63.109365 +/- 11.761925 From: 34.960000 To: 97.400000
= 53.677055 +/- 9.210666 From: 32.720000 To: 80.870000
= 37.938552 +/- 13.538315 From: 8.460000 To: 71.700000
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 3.1013 % Filled.
Pdbmat> 976490 non-zero elements.
Pdbmat> 106900 atom-atom interactions.
Pdbmat> Number per atom= 80.83 +/- 23.09
Maximum number = 128
Minimum number = 8
Pdbmat> Matrix trace = 2.138000E+06
Pdbmat> Larger element = 479.127
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
323 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 = 2402132254012667902.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 2402132254012667902.atom to be opened.
Openam> file on opening on unit 11:
2402132254012667902.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2645 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> 323 residues.
Blocpdb> 12 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 13
Blocpdb> 11 atoms in block 3
Block first atom: 27
Blocpdb> 17 atoms in block 4
Block first atom: 38
Blocpdb> 19 atoms in block 5
Block first atom: 55
Blocpdb> 23 atoms in block 6
Block first atom: 74
Blocpdb> 19 atoms in block 7
Block first atom: 97
Blocpdb> 15 atoms in block 8
Block first atom: 116
Blocpdb> 16 atoms in block 9
Block first atom: 131
Blocpdb> 17 atoms in block 10
Block first atom: 147
Blocpdb> 20 atoms in block 11
Block first atom: 164
Blocpdb> 20 atoms in block 12
Block first atom: 184
Blocpdb> 17 atoms in block 13
Block first atom: 204
Blocpdb> 13 atoms in block 14
Block first atom: 221
Blocpdb> 21 atoms in block 15
Block first atom: 234
Blocpdb> 12 atoms in block 16
Block first atom: 255
Blocpdb> 17 atoms in block 17
Block first atom: 267
Blocpdb> 13 atoms in block 18
Block first atom: 284
Blocpdb> 19 atoms in block 19
Block first atom: 297
Blocpdb> 15 atoms in block 20
Block first atom: 316
Blocpdb> 18 atoms in block 21
Block first atom: 331
Blocpdb> 17 atoms in block 22
Block first atom: 349
Blocpdb> 19 atoms in block 23
Block first atom: 366
Blocpdb> 15 atoms in block 24
Block first atom: 385
Blocpdb> 15 atoms in block 25
Block first atom: 400
Blocpdb> 15 atoms in block 26
Block first atom: 415
Blocpdb> 16 atoms in block 27
Block first atom: 430
Blocpdb> 16 atoms in block 28
Block first atom: 446
Blocpdb> 11 atoms in block 29
Block first atom: 462
Blocpdb> 22 atoms in block 30
Block first atom: 473
Blocpdb> 18 atoms in block 31
Block first atom: 495
Blocpdb> 12 atoms in block 32
Block first atom: 513
Blocpdb> 19 atoms in block 33
Block first atom: 525
Blocpdb> 25 atoms in block 34
Block first atom: 544
Blocpdb> 16 atoms in block 35
Block first atom: 569
Blocpdb> 25 atoms in block 36
Block first atom: 585
Blocpdb> 17 atoms in block 37
Block first atom: 610
Blocpdb> 16 atoms in block 38
Block first atom: 627
Blocpdb> 8 atoms in block 39
Block first atom: 643
Blocpdb> 13 atoms in block 40
Block first atom: 651
Blocpdb> 18 atoms in block 41
Block first atom: 664
Blocpdb> 14 atoms in block 42
Block first atom: 682
Blocpdb> 15 atoms in block 43
Block first atom: 696
Blocpdb> 13 atoms in block 44
Block first atom: 711
Blocpdb> 18 atoms in block 45
Block first atom: 724
Blocpdb> 14 atoms in block 46
Block first atom: 742
Blocpdb> 18 atoms in block 47
Block first atom: 756
Blocpdb> 10 atoms in block 48
Block first atom: 774
Blocpdb> 15 atoms in block 49
Block first atom: 784
Blocpdb> 11 atoms in block 50
Block first atom: 799
Blocpdb> 16 atoms in block 51
Block first atom: 810
Blocpdb> 16 atoms in block 52
Block first atom: 826
Blocpdb> 19 atoms in block 53
Block first atom: 842
Blocpdb> 22 atoms in block 54
Block first atom: 861
Blocpdb> 12 atoms in block 55
Block first atom: 883
Blocpdb> 16 atoms in block 56
Block first atom: 895
Blocpdb> 16 atoms in block 57
Block first atom: 911
Blocpdb> 14 atoms in block 58
Block first atom: 927
Blocpdb> 11 atoms in block 59
Block first atom: 941
Blocpdb> 19 atoms in block 60
Block first atom: 952
Blocpdb> 10 atoms in block 61
Block first atom: 971
Blocpdb> 17 atoms in block 62
Block first atom: 981
Blocpdb> 18 atoms in block 63
Block first atom: 998
Blocpdb> 22 atoms in block 64
Block first atom: 1016
Blocpdb> 15 atoms in block 65
Block first atom: 1038
Blocpdb> 20 atoms in block 66
Block first atom: 1053
Blocpdb> 23 atoms in block 67
Block first atom: 1073
Blocpdb> 12 atoms in block 68
Block first atom: 1096
Blocpdb> 12 atoms in block 69
Block first atom: 1108
Blocpdb> 12 atoms in block 70
Block first atom: 1120
Blocpdb> 15 atoms in block 71
Block first atom: 1132
Blocpdb> 15 atoms in block 72
Block first atom: 1147
Blocpdb> 14 atoms in block 73
Block first atom: 1162
Blocpdb> 19 atoms in block 74
Block first atom: 1176
Blocpdb> 13 atoms in block 75
Block first atom: 1195
Blocpdb> 25 atoms in block 76
Block first atom: 1208
Blocpdb> 17 atoms in block 77
Block first atom: 1233
Blocpdb> 14 atoms in block 78
Block first atom: 1250
Blocpdb> 16 atoms in block 79
Block first atom: 1264
Blocpdb> 17 atoms in block 80
Block first atom: 1280
Blocpdb> 22 atoms in block 81
Block first atom: 1297
Blocpdb> 15 atoms in block 82
Block first atom: 1319
Blocpdb> 17 atoms in block 83
Block first atom: 1334
Blocpdb> 18 atoms in block 84
Block first atom: 1351
Blocpdb> 23 atoms in block 85
Block first atom: 1369
Blocpdb> 14 atoms in block 86
Block first atom: 1392
Blocpdb> 18 atoms in block 87
Block first atom: 1406
Blocpdb> 14 atoms in block 88
Block first atom: 1424
Blocpdb> 17 atoms in block 89
Block first atom: 1438
Blocpdb> 16 atoms in block 90
Block first atom: 1455
Blocpdb> 12 atoms in block 91
Block first atom: 1471
Blocpdb> 18 atoms in block 92
Block first atom: 1483
Blocpdb> 17 atoms in block 93
Block first atom: 1501
Blocpdb> 15 atoms in block 94
Block first atom: 1518
Blocpdb> 15 atoms in block 95
Block first atom: 1533
Blocpdb> 15 atoms in block 96
Block first atom: 1548
Blocpdb> 17 atoms in block 97
Block first atom: 1563
Blocpdb> 10 atoms in block 98
Block first atom: 1580
Blocpdb> 16 atoms in block 99
Block first atom: 1590
Blocpdb> 13 atoms in block 100
Block first atom: 1606
Blocpdb> 16 atoms in block 101
Block first atom: 1619
Blocpdb> 22 atoms in block 102
Block first atom: 1635
Blocpdb> 12 atoms in block 103
Block first atom: 1657
Blocpdb> 16 atoms in block 104
Block first atom: 1669
Blocpdb> 14 atoms in block 105
Block first atom: 1685
Blocpdb> 20 atoms in block 106
Block first atom: 1699
Blocpdb> 13 atoms in block 107
Block first atom: 1719
Blocpdb> 12 atoms in block 108
Block first atom: 1732
Blocpdb> 19 atoms in block 109
Block first atom: 1744
Blocpdb> 12 atoms in block 110
Block first atom: 1763
Blocpdb> 12 atoms in block 111
Block first atom: 1775
Blocpdb> 17 atoms in block 112
Block first atom: 1787
Blocpdb> 14 atoms in block 113
Block first atom: 1804
Blocpdb> 14 atoms in block 114
Block first atom: 1818
Blocpdb> 18 atoms in block 115
Block first atom: 1832
Blocpdb> 14 atoms in block 116
Block first atom: 1850
Blocpdb> 22 atoms in block 117
Block first atom: 1864
Blocpdb> 19 atoms in block 118
Block first atom: 1886
Blocpdb> 17 atoms in block 119
Block first atom: 1905
Blocpdb> 14 atoms in block 120
Block first atom: 1922
Blocpdb> 16 atoms in block 121
Block first atom: 1936
Blocpdb> 18 atoms in block 122
Block first atom: 1952
Blocpdb> 24 atoms in block 123
Block first atom: 1970
Blocpdb> 11 atoms in block 124
Block first atom: 1994
Blocpdb> 16 atoms in block 125
Block first atom: 2005
Blocpdb> 22 atoms in block 126
Block first atom: 2021
Blocpdb> 18 atoms in block 127
Block first atom: 2043
Blocpdb> 15 atoms in block 128
Block first atom: 2061
Blocpdb> 16 atoms in block 129
Block first atom: 2076
Blocpdb> 17 atoms in block 130
Block first atom: 2092
Blocpdb> 19 atoms in block 131
Block first atom: 2109
Blocpdb> 18 atoms in block 132
Block first atom: 2128
Blocpdb> 18 atoms in block 133
Block first atom: 2146
Blocpdb> 14 atoms in block 134
Block first atom: 2164
Blocpdb> 11 atoms in block 135
Block first atom: 2178
Blocpdb> 20 atoms in block 136
Block first atom: 2189
Blocpdb> 15 atoms in block 137
Block first atom: 2209
Blocpdb> 15 atoms in block 138
Block first atom: 2224
Blocpdb> 20 atoms in block 139
Block first atom: 2239
Blocpdb> 13 atoms in block 140
Block first atom: 2259
Blocpdb> 16 atoms in block 141
Block first atom: 2272
Blocpdb> 24 atoms in block 142
Block first atom: 2288
Blocpdb> 18 atoms in block 143
Block first atom: 2312
Blocpdb> 15 atoms in block 144
Block first atom: 2330
Blocpdb> 19 atoms in block 145
Block first atom: 2345
Blocpdb> 16 atoms in block 146
Block first atom: 2364
Blocpdb> 21 atoms in block 147
Block first atom: 2380
Blocpdb> 16 atoms in block 148
Block first atom: 2401
Blocpdb> 22 atoms in block 149
Block first atom: 2417
Blocpdb> 19 atoms in block 150
Block first atom: 2439
Blocpdb> 18 atoms in block 151
Block first atom: 2458
Blocpdb> 17 atoms in block 152
Block first atom: 2476
Blocpdb> 14 atoms in block 153
Block first atom: 2493
Blocpdb> 11 atoms in block 154
Block first atom: 2507
Blocpdb> 17 atoms in block 155
Block first atom: 2518
Blocpdb> 18 atoms in block 156
Block first atom: 2535
Blocpdb> 20 atoms in block 157
Block first atom: 2553
Blocpdb> 19 atoms in block 158
Block first atom: 2573
Blocpdb> 19 atoms in block 159
Block first atom: 2592
Blocpdb> 14 atoms in block 160
Block first atom: 2611
Blocpdb> 12 atoms in block 161
Block first atom: 2625
Blocpdb> 9 atoms in block 162
Block first atom: 2636
Blocpdb> 162 blocks.
Blocpdb> At most, 25 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 976652 matrix lines read.
Prepmat> Matrix order = 7935
Prepmat> Matrix trace = 2138000.0000
Prepmat> Last element read: 7935 7935 45.6522
Prepmat> 13204 lines saved.
Prepmat> 11466 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: 2645
RTB> Total mass = 2645.0000
RTB> Number of atoms found in matrix: 2645
RTB> Number of blocks = 162
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 221551.5083
RTB> 60102 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 = 972
Diagstd> Nb of non-zero elements: 60102
Diagstd> Projected matrix trace = 221551.5083
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 972 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 221551.5083
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 0.4737485 1.5011804 2.1748613 2.2980775
3.2923297 3.4017540 4.1941317 5.3858678 5.8414900
6.1629177 7.8303051 8.1046052 8.3578693 9.5029661
10.2537627 10.7413971 11.1821626 12.2113551 12.4153798
13.1484118 13.6000350 13.9268921 15.1658585 15.5657241
17.1381014 17.2414234 18.0715665 18.4291973 18.7597721
19.7699856 20.4610556 21.2417659 22.4052136 22.8188277
23.8299229 24.5393382 25.0452301 25.2576901 25.9273311
26.4523961 27.2535971 27.6211002 28.1200652 28.7387951
29.7046827 30.2271408 31.1008435 31.8276004 32.2336105
33.1861300 33.7078733 34.4269018 35.8067395 36.6635099
37.6194680 38.0667237 38.8547441 38.9068487 39.7848377
40.4911501 40.8389976 42.1554181 43.3825066 43.8989484
44.5016305 44.7920827 45.9766592 46.5807143 47.4406351
48.3633312 49.3477047 49.8796887 50.5703828 50.9063549
51.6733659 51.9380507 52.3174149 52.8340801 53.3185996
53.9933840 54.1755042 55.4374850 55.7590297 56.3219948
56.4474845 57.1207321 58.0331679 58.5076779 59.2919373
59.5922854 60.3912521 60.7649783 61.2588967 61.6115926
61.8682102 63.2655223 63.8147442 63.9791408 64.0548247
64.5744769
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034327 0.0034329 0.0034340 0.0034355
0.0034357 74.7427707 133.0490313 160.1441432 164.6181116
197.0366164 200.2842185 222.3905413 252.0131048 262.4563586
269.5804941 303.8677586 309.1442783 313.9374070 334.7533024
347.7257978 355.8980981 363.1266987 379.4697929 382.6267115
393.7603022 400.4656715 405.2494053 422.8913282 428.4300691
449.5485841 450.9016651 461.6291030 466.1744752 470.3369072
482.8346803 491.2010635 500.4844510 514.0079358 518.7306914
530.0985286 537.9311621 543.4477478 545.7479274 552.9351351
558.5059300 566.9009644 570.7103735 575.8421379 582.1428370
591.8446681 597.0267834 605.5937215 612.6285448 616.5236729
625.5666468 630.4649636 637.1537605 649.7969498 657.5250452
666.0419833 669.9895519 676.8887668 677.3424718 684.9424387
690.9956867 693.9574091 705.0533508 715.2413285 719.4859850
724.4080071 726.7681869 736.3155729 741.1367558 747.9464883
755.1850494 762.8317472 766.9325093 772.2241880 774.7851366
780.6001961 782.5968640 785.4497731 789.3186339 792.9296314
797.9313972 799.2759789 808.5316782 810.8730830 814.9562496
815.8636367 820.7146063 827.2436069 830.6187135 836.1671480
838.2823089 843.8831150 846.4902375 849.9235551 852.3667457
854.1399921 863.7316409 867.4726608 868.5893139 869.1029097
872.6211373
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2645
Rtb_to_modes> Number of blocs = 162
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: 9.9863E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9925E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4737
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.501
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.175
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.298
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.292
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.402
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.194
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.386
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.841
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.163
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.830
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.105
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.358
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 9.503
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 10.25
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.74
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 11.18
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.21
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.42
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.60
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 13.93
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.17
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 15.57
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 17.14
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 17.24
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 18.07
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 18.43
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 18.76
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.77
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 20.46
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 22.41
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 23.83
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.54
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.05
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 25.26
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 25.93
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 26.45
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 27.25
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 27.62
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 28.12
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 28.74
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 29.70
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 30.23
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 31.83
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 33.19
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 33.71
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 34.43
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 35.81
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 36.66
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 37.62
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.85
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 38.91
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 39.78
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 40.49
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.84
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 42.16
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 43.38
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 43.90
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 44.50
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 44.79
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 45.98
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 46.58
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 47.44
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 48.36
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 49.35
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 49.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 50.57
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 50.91
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 51.67
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 51.94
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 52.32
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 52.83
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 53.32
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 53.99
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 54.18
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 55.44
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 55.76
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 56.32
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 56.45
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 57.12
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 58.03
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 58.51
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 59.29
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 59.59
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 60.39
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 60.76
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 61.26
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 61.61
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 61.87
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 63.27
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.81
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 63.98
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 64.05
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 64.57
Rtb_to_modes> 106 vectors, with 972 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00002 0.99999 1.00000 1.00000
1.00000 1.00002 0.99996 1.00003 1.00000
1.00004 0.99998 1.00000 1.00003 1.00000
0.99999 1.00000 1.00004 0.99998 1.00001
1.00000 0.99998 1.00002 1.00002 1.00002
1.00001 1.00001 0.99999 1.00001 1.00001
0.99997 1.00002 1.00001 0.99997 1.00004
1.00000 1.00002 0.99998 0.99997 1.00000
1.00000 1.00000 1.00001 1.00001 0.99997
1.00004 0.99999 0.99997 1.00001 1.00001
1.00001 0.99997 1.00000 1.00001 0.99998
0.99996 0.99998 1.00001 1.00001 0.99999
1.00001 0.99999 1.00000 1.00001 1.00001
1.00000 0.99997 1.00001 1.00000 0.99999
1.00000 0.99998 1.00000 1.00002 0.99998
0.99998 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00001 1.00003 0.99998
0.99998 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 0.99998 1.00002 1.00001
1.00001 1.00002 0.99999 0.99999 0.99997
1.00001 1.00002 0.99998 1.00000 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 47610 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00002 0.99999 1.00000 1.00000
1.00000 1.00002 0.99996 1.00003 1.00000
1.00004 0.99998 1.00000 1.00003 1.00000
0.99999 1.00000 1.00004 0.99998 1.00001
1.00000 0.99998 1.00002 1.00002 1.00002
1.00001 1.00001 0.99999 1.00001 1.00001
0.99997 1.00002 1.00001 0.99997 1.00004
1.00000 1.00002 0.99998 0.99997 1.00000
1.00000 1.00000 1.00001 1.00001 0.99997
1.00004 0.99999 0.99997 1.00001 1.00001
1.00001 0.99997 1.00000 1.00001 0.99998
0.99996 0.99998 1.00001 1.00001 0.99999
1.00001 0.99999 1.00000 1.00001 1.00001
1.00000 0.99997 1.00001 1.00000 0.99999
1.00000 0.99998 1.00000 1.00002 0.99998
0.99998 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00001 1.00003 0.99998
0.99998 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 0.99998 1.00002 1.00001
1.00001 1.00002 0.99999 0.99999 0.99997
1.00001 1.00002 0.99998 1.00000 1.00001
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000 0.000
Vector 5:-0.000 0.000 0.000 0.000
Vector 6: 0.000-0.000 0.000-0.000-0.000
Vector 7: 0.000-0.000 0.000-0.000 0.000-0.000
Vector 8: 0.000 0.000 0.000 0.000 0.000-0.000-0.000
Vector 9: 0.000 0.000 0.000 0.000-0.000 0.000 0.000 0.000
Vector 10: 0.000 0.000 0.000 0.000-0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402132254012667902.eigenfacs
Openam> file on opening on unit 10:
2402132254012667902.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402132254012667902.atom
Openam> file on opening on unit 11:
2402132254012667902.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 = 323
First residue number = 1
Last residue number = 323
Number of atoms found = 2645
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9863E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.386
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.358
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 11.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 13.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 15.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 17.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 18.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 23.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 25.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 25.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 26.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 27.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 27.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 28.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 28.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 29.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 30.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 31.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 33.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 33.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 34.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 35.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 36.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 37.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 38.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 39.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 40.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 42.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 43.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 43.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 44.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 44.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 45.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 46.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 47.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 48.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 49.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 49.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 50.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 50.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 51.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 51.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 52.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 52.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 53.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 53.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 54.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 55.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 55.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 56.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 56.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 57.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 58.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 58.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 59.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 59.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 60.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 60.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 61.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 61.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 61.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 63.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 63.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 64.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 64.57
Bfactors> 106 vectors, 7935 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 : 0.473700
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.043 +/- 0.18
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.043
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
project conformational change on normal modes
Projmod> Version 1.36, April 2003.
Projmod> Projection of a difference vector on a set of eigenvectors.
Getnam> CERFACS file with the eigenvectors ?
Getnam> 2402132254012667902.eigenfacs
Openam> file on opening on unit 10:
2402132254012667902.eigenfacs
Getnam> Pdb file with the reference structure ?
Getnam> 2402132254012667902.atom
Openam> file on opening on unit 11:
2402132254012667902.atom
Getnam> Pdb file with the other conformer ?
Getnam> 2402132254012667902.atom2
Openam> file on opening on unit 12:
2402132254012667902.atom2
Getrep> Are the masses given in the pdb file ? (y/n)
Getrep> F
Projmod> All masses will all be assumed to be of 1.
Getrep> Displacement along one mode ? (y/n)
Getrep> F
Openam> file on opening on unit 13:
projmod.res
Openam> file on opening on unit 14:
dr.res
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4315E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4325E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4355E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 74.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 133.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 160.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 164.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 197.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 200.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 222.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 252.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 262.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 269.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 303.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 309.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 313.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 334.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 347.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 355.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 363.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 379.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 382.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 393.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 400.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 405.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 422.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 428.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 449.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 450.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 461.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 466.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 470.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 482.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 491.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 500.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 514.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 518.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 530.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 537.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 543.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 545.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 552.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 558.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 566.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 570.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 575.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 582.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 591.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 597.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 605.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 612.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 616.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 625.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 630.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 637.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 649.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 657.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 666.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 670.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 676.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 677.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 684.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 691.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 693.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 705.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 715.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 719.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 724.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 726.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 736.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 741.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 747.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 755.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 762.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 766.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 772.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 774.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 780.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 782.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 785.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 789.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 792.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 797.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 799.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 808.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 810.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 814.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 815.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 820.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 827.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 830.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 836.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 838.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 843.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 846.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 849.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 852.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 854.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 863.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 867.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 868.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 869.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 872.6
Projmod> 106 vectors, 7935 coordinates in file.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 323
First residue number = 1
Last residue number = 323
Number of atoms found = 2645
Mean number per residue = 8.2
Projmod> Cartesian (eigen)vectors will be studied.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 323
First residue number = 1
Last residue number = 323
Number of atoms found = 2645
Mean number per residue = 8.2
Projmod> File dr.res: displacement=f(atom number).
Projmod> 2645 atoms are considered.
Projmod> Atomic r.m.s. displacements= 0.00
Projmod> Atomic average masses = 1.00 +/- 0.00
Projmod> File projmod.res: dr.vector=f(fqcy), and cumulative square sum.
Vector: 1 F= 0.00 Cos= NaN Sum= NaN q= 0.0000
Vector: 2 F= 0.00 Cos= NaN Sum= NaN q= 0.0000
Vector: 3 F= 0.00 Cos= NaN Sum= NaN q= 0.0000
Vector: 4 F= 0.00 Cos= NaN Sum= NaN q= 0.0000
Vector: 5 F= 0.00 Cos= NaN Sum= NaN q= 0.0000
Vector: 6 F= 0.00 Cos= NaN Sum= NaN q= 0.0000
Vector: 7 F= 74.74 Cos= NaN Sum= NaN q= 0.0000
Vector: 8 F= 133.04 Cos= NaN Sum= NaN q= 0.0000
%Projmod-Wn> Eigenvector 9 Norm= 1.0001
Vector: 9 F= 160.14 Cos= NaN Sum= NaN q= 0.0000
Vector: 10 F= 164.61 Cos= NaN Sum= NaN q= 0.0000
Vector: 11 F= 197.02 Cos= NaN Sum= NaN q= 0.0000
Vector: 12 F= 200.28 Cos= NaN Sum= NaN q= 0.0000
Vector: 13 F= 222.38 Cos= NaN Sum= NaN q= 0.0000
Vector: 14 F= 252.01 Cos= NaN Sum= NaN q= 0.0000
Vector: 15 F= 262.43 Cos= NaN Sum= NaN q= 0.0000
Vector: 16 F= 269.57 Cos= NaN Sum= NaN q= 0.0000
Vector: 17 F= 303.85 Cos= NaN Sum= NaN q= 0.0000
Vector: 18 F= 309.14 Cos= NaN Sum= NaN q= 0.0000
Vector: 19 F= 313.93 Cos= NaN Sum= NaN q= 0.0000
Vector: 20 F= 334.74 Cos= NaN Sum= NaN q= 0.0000
Vector: 21 F= 347.65 Cos= NaN Sum= NaN q= 0.0000
Vector: 22 F= 355.86 Cos= NaN Sum= NaN q= 0.0000
Vector: 23 F= 363.08 Cos= NaN Sum= NaN q= 0.0000
Vector: 24 F= 379.43 Cos= NaN Sum= NaN q= 0.0000
Vector: 25 F= 382.68 Cos= NaN Sum= NaN q= 0.0000
Vector: 26 F= 393.77 Cos= NaN Sum= NaN q= 0.0000
Vector: 27 F= 400.45 Cos= NaN Sum= NaN q= 0.0000
Vector: 28 F= 405.28 Cos= NaN Sum= NaN q= 0.0000
Vector: 29 F= 422.93 Cos= NaN Sum= NaN q= 0.0000
Vector: 30 F= 428.47 Cos= NaN Sum= NaN q= 0.0000
Vector: 31 F= 449.55 Cos= NaN Sum= NaN q= 0.0000
Vector: 32 F= 450.86 Cos= NaN Sum= NaN q= 0.0000
Vector: 33 F= 461.59 Cos= NaN Sum= NaN q= 0.0000
Vector: 34 F= 466.16 Cos= NaN Sum= NaN q= 0.0000
Vector: 35 F= 470.32 Cos= NaN Sum= NaN q= 0.0000
Vector: 36 F= 482.81 Cos= NaN Sum= NaN q= 0.0000
Vector: 37 F= 491.17 Cos= NaN Sum= NaN q= 0.0000
Vector: 38 F= 500.44 Cos= NaN Sum= NaN q= 0.0000
Vector: 39 F= 514.04 Cos= NaN Sum= NaN q= 0.0000
Vector: 40 F= 518.72 Cos= NaN Sum= NaN q= 0.0000
Vector: 41 F= 530.08 Cos= NaN Sum= NaN q= 0.0000
Vector: 42 F= 537.92 Cos= NaN Sum= NaN q= 0.0000
Vector: 43 F= 543.48 Cos= NaN Sum= NaN q= 0.0000
Vector: 44 F= 545.75 Cos= NaN Sum= NaN q= 0.0000
Vector: 45 F= 552.94 Cos= NaN Sum= NaN q= 0.0000
Vector: 46 F= 558.46 Cos= NaN Sum= NaN q= 0.0000
Vector: 47 F= 566.84 Cos= NaN Sum= NaN q= 0.0000
Vector: 48 F= 570.67 Cos= NaN Sum= NaN q= 0.0000
Vector: 49 F= 575.82 Cos= NaN Sum= NaN q= 0.0000
Vector: 50 F= 582.13 Cos= NaN Sum= NaN q= 0.0000
Vector: 51 F= 591.77 Cos= NaN Sum= NaN q= 0.0000
Vector: 52 F= 597.03 Cos= NaN Sum= NaN q= 0.0000
Vector: 53 F= 605.56 Cos= NaN Sum= NaN q= 0.0000
Vector: 54 F= 612.63 Cos= NaN Sum= NaN q= 0.0000
Vector: 55 F= 616.46 Cos= NaN Sum= NaN q= 0.0000
Vector: 56 F= 625.58 Cos= NaN Sum= NaN q= 0.0000
Vector: 57 F= 630.46 Cos= NaN Sum= NaN q= 0.0000
Vector: 58 F= 637.16 Cos= NaN Sum= NaN q= 0.0000
Vector: 59 F= 649.80 Cos= NaN Sum= NaN q= 0.0000
Vector: 60 F= 657.47 Cos= NaN Sum= NaN q= 0.0000
Vector: 61 F= 666.02 Cos= NaN Sum= NaN q= 0.0000
Vector: 62 F= 669.99 Cos= NaN Sum= NaN q= 0.0000
Vector: 63 F= 676.82 Cos= NaN Sum= NaN q= 0.0000
Vector: 64 F= 677.34 Cos= NaN Sum= NaN q= 0.0000
Vector: 65 F= 684.87 Cos= NaN Sum= NaN q= 0.0000
Vector: 66 F= 690.96 Cos= NaN Sum= NaN q= 0.0000
Vector: 67 F= 693.94 Cos= NaN Sum= NaN q= 0.0000
Vector: 68 F= 705.06 Cos= NaN Sum= NaN q= 0.0000
Vector: 69 F= 715.19 Cos= NaN Sum= NaN q= 0.0000
Vector: 70 F= 719.46 Cos= NaN Sum= NaN q= 0.0000
Vector: 71 F= 724.36 Cos= NaN Sum= NaN q= 0.0000
Vector: 72 F= 726.72 Cos= NaN Sum= NaN q= 0.0000
Vector: 73 F= 736.31 Cos= NaN Sum= NaN q= 0.0000
Vector: 74 F= 741.10 Cos= NaN Sum= NaN q= 0.0000
Vector: 75 F= 747.91 Cos= NaN Sum= NaN q= 0.0000
Vector: 76 F= 755.13 Cos= NaN Sum= NaN q= 0.0000
Vector: 77 F= 762.82 Cos= NaN Sum= NaN q= 0.0000
Vector: 78 F= 766.90 Cos= NaN Sum= NaN q= 0.0000
Vector: 79 F= 772.19 Cos= NaN Sum= NaN q= 0.0000
Vector: 80 F= 774.78 Cos= NaN Sum= NaN q= 0.0000
Vector: 81 F= 780.54 Cos= NaN Sum= NaN q= 0.0000
Vector: 82 F= 782.58 Cos= NaN Sum= NaN q= 0.0000
Vector: 83 F= 785.44 Cos= NaN Sum= NaN q= 0.0000
Vector: 84 F= 789.25 Cos= NaN Sum= NaN q= 0.0000
Vector: 85 F= 792.91 Cos= NaN Sum= NaN q= 0.0000
Vector: 86 F= 797.87 Cos= NaN Sum= NaN q= 0.0000
Vector: 87 F= 799.27 Cos= NaN Sum= NaN q= 0.0000
Vector: 88 F= 808.52 Cos= NaN Sum= NaN q= 0.0000
Vector: 89 F= 810.85 Cos= NaN Sum= NaN q= 0.0000
Vector: 90 F= 814.91 Cos= NaN Sum= NaN q= 0.0000
Vector: 91 F= 815.85 Cos= NaN Sum= NaN q= 0.0000
Vector: 92 F= 820.67 Cos= NaN Sum= NaN q= 0.0000
Vector: 93 F= 827.19 Cos= NaN Sum= NaN q= 0.0000
Vector: 94 F= 830.60 Cos= NaN Sum= NaN q= 0.0000
Vector: 95 F= 836.12 Cos= NaN Sum= NaN q= 0.0000
Vector: 96 F= 838.23 Cos= NaN Sum= NaN q= 0.0000
Vector: 97 F= 843.84 Cos= NaN Sum= NaN q= 0.0000
Vector: 98 F= 846.42 Cos= NaN Sum= NaN q= 0.0000
Vector: 99 F= 849.89 Cos= NaN Sum= NaN q= 0.0000
Vector: 100 F= 852.32 Cos= NaN Sum= NaN q= 0.0000
Vector: 101 F= 854.12 Cos= NaN Sum= NaN q= 0.0000
Vector: 102 F= 863.73 Cos= NaN Sum= NaN q= 0.0000
Vector: 103 F= 867.40 Cos= NaN Sum= NaN q= 0.0000
Vector: 104 F= 868.56 Cos= NaN Sum= NaN q= 0.0000
Vector: 105 F= 869.03 Cos= NaN Sum= NaN q= 0.0000
Vector: 106 F= 872.55 Cos= NaN Sum= NaN q= 0.0000
Projmod> Best zero-frequency found : 0.003431
Projmod> 6 frequencies less than: 0.003436
Projmod> Lowest non-zero frequency : 74.735738
Projmod> Best overlap with diff.vect. = 0.00 for mode -1 with F= 0.00 cm-1.
Projmod> 1-3-6-9-12-all-best contrb. = NaN NaN NaN NaN NaN NaN
Projmod> Normal end.
getting mode 7
running: ../../bin/get_modes.sh 2402132254012667902 7 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=7 DQ=-500 323 10.047 316 0.573
MODEL 2 MODE=7 DQ=-490 323 9.846 316 0.560
MODEL 3 MODE=7 DQ=-480 323 9.645 316 0.548
MODEL 4 MODE=7 DQ=-470 323 9.444 316 0.535
MODEL 5 MODE=7 DQ=-460 323 9.243 316 0.523
MODEL 6 MODE=7 DQ=-450 323 9.042 316 0.511
MODEL 7 MODE=7 DQ=-440 323 8.841 316 0.498
MODEL 8 MODE=7 DQ=-430 323 8.640 316 0.486
MODEL 9 MODE=7 DQ=-420 323 8.439 316 0.474
MODEL 10 MODE=7 DQ=-410 323 8.238 316 0.462
MODEL 11 MODE=7 DQ=-400 323 8.037 316 0.450
MODEL 12 MODE=7 DQ=-390 323 7.836 316 0.438
MODEL 13 MODE=7 DQ=-380 323 7.635 316 0.426
MODEL 14 MODE=7 DQ=-370 323 7.435 316 0.414
MODEL 15 MODE=7 DQ=-360 323 7.234 316 0.402
MODEL 16 MODE=7 DQ=-350 323 7.033 316 0.390
MODEL 17 MODE=7 DQ=-340 323 6.832 316 0.378
MODEL 18 MODE=7 DQ=-330 323 6.631 316 0.367
MODEL 19 MODE=7 DQ=-320 323 6.430 316 0.355
MODEL 20 MODE=7 DQ=-310 323 6.229 316 0.343
MODEL 21 MODE=7 DQ=-300 323 6.028 316 0.332
MODEL 22 MODE=7 DQ=-290 323 5.827 316 0.320
MODEL 23 MODE=7 DQ=-280 323 5.626 316 0.309
MODEL 24 MODE=7 DQ=-270 323 5.425 316 0.297
MODEL 25 MODE=7 DQ=-260 323 5.224 316 0.286
MODEL 26 MODE=7 DQ=-250 323 5.023 316 0.275
MODEL 27 MODE=7 DQ=-240 323 4.822 316 0.263
MODEL 28 MODE=7 DQ=-230 323 4.621 316 0.252
MODEL 29 MODE=7 DQ=-220 323 4.420 316 0.241
MODEL 30 MODE=7 DQ=-210 323 4.220 316 0.230
MODEL 31 MODE=7 DQ=-200 323 4.019 316 0.218
MODEL 32 MODE=7 DQ=-190 323 3.818 316 0.207
MODEL 33 MODE=7 DQ=-180 323 3.617 316 0.196
MODEL 34 MODE=7 DQ=-170 323 3.416 316 0.185
MODEL 35 MODE=7 DQ=-160 323 3.215 316 0.174
MODEL 36 MODE=7 DQ=-150 323 3.014 317 0.303
MODEL 37 MODE=7 DQ=-140 323 2.813 317 0.283
MODEL 38 MODE=7 DQ=-130 323 2.612 317 0.262
MODEL 39 MODE=7 DQ=-120 323 2.411 317 0.242
MODEL 40 MODE=7 DQ=-110 323 2.210 317 0.222
MODEL 41 MODE=7 DQ=-100 323 2.009 317 0.202
MODEL 42 MODE=7 DQ=-90 323 1.808 318 0.283
MODEL 43 MODE=7 DQ=-80 323 1.607 318 0.251
MODEL 44 MODE=7 DQ=-70 323 1.407 318 0.220
MODEL 45 MODE=7 DQ=-60 323 1.206 318 0.188
MODEL 46 MODE=7 DQ=-50 323 1.005 318 0.157
MODEL 47 MODE=7 DQ=-40 323 0.804 318 0.126
MODEL 48 MODE=7 DQ=-30 323 0.603 319 0.188
MODEL 49 MODE=7 DQ=-20 323 0.402 321 0.241
MODEL 50 MODE=7 DQ=-10 323 0.201 323 0.201
MODEL 51 MODE=7 DQ=0 323 0.000 323 0.000
getting mode 8
running: ../../bin/get_modes.sh 2402132254012667902 8 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=8 DQ=-500 323 9.555 305 1.095
MODEL 2 MODE=8 DQ=-490 323 9.364 305 1.072
MODEL 3 MODE=8 DQ=-480 323 9.173 306 1.064
MODEL 4 MODE=8 DQ=-470 323 8.982 306 1.042
MODEL 5 MODE=8 DQ=-460 323 8.791 307 1.053
MODEL 6 MODE=8 DQ=-450 323 8.600 308 1.022
MODEL 7 MODE=8 DQ=-440 323 8.408 308 0.999
MODEL 8 MODE=8 DQ=-430 323 8.217 309 0.999
MODEL 9 MODE=8 DQ=-420 323 8.026 310 0.980
MODEL 10 MODE=8 DQ=-410 323 7.835 310 0.957
MODEL 11 MODE=8 DQ=-400 323 7.644 310 0.933
MODEL 12 MODE=8 DQ=-390 323 7.453 310 0.910
MODEL 13 MODE=8 DQ=-380 323 7.262 310 0.886
MODEL 14 MODE=8 DQ=-370 323 7.071 312 0.904
MODEL 15 MODE=8 DQ=-360 323 6.880 312 0.879
MODEL 16 MODE=8 DQ=-350 323 6.689 312 0.855
MODEL 17 MODE=8 DQ=-340 323 6.497 312 0.830
MODEL 18 MODE=8 DQ=-330 323 6.306 312 0.806
MODEL 19 MODE=8 DQ=-320 323 6.115 312 0.781
MODEL 20 MODE=8 DQ=-310 323 5.924 313 0.774
MODEL 21 MODE=8 DQ=-300 323 5.733 313 0.749
MODEL 22 MODE=8 DQ=-290 323 5.542 313 0.724
MODEL 23 MODE=8 DQ=-280 323 5.351 313 0.699
MODEL 24 MODE=8 DQ=-270 323 5.160 314 0.749
MODEL 25 MODE=8 DQ=-260 323 4.969 315 0.724
MODEL 26 MODE=8 DQ=-250 323 4.778 316 0.701
MODEL 27 MODE=8 DQ=-240 323 4.586 316 0.673
MODEL 28 MODE=8 DQ=-230 323 4.395 316 0.645
MODEL 29 MODE=8 DQ=-220 323 4.204 316 0.617
MODEL 30 MODE=8 DQ=-210 323 4.013 316 0.589
MODEL 31 MODE=8 DQ=-200 323 3.822 316 0.561
MODEL 32 MODE=8 DQ=-190 323 3.631 316 0.533
MODEL 33 MODE=8 DQ=-180 323 3.440 316 0.505
MODEL 34 MODE=8 DQ=-170 323 3.249 316 0.477
MODEL 35 MODE=8 DQ=-160 323 3.058 316 0.449
MODEL 36 MODE=8 DQ=-150 323 2.867 316 0.421
MODEL 37 MODE=8 DQ=-140 323 2.675 316 0.393
MODEL 38 MODE=8 DQ=-130 323 2.484 316 0.365
MODEL 39 MODE=8 DQ=-120 323 2.293 316 0.337
MODEL 40 MODE=8 DQ=-110 323 2.102 316 0.309
MODEL 41 MODE=8 DQ=-100 323 1.911 316 0.281
MODEL 42 MODE=8 DQ=-90 323 1.720 317 0.326
MODEL 43 MODE=8 DQ=-80 323 1.529 317 0.290
MODEL 44 MODE=8 DQ=-70 323 1.338 318 0.308
MODEL 45 MODE=8 DQ=-60 323 1.147 318 0.264
MODEL 46 MODE=8 DQ=-50 323 0.956 318 0.220
MODEL 47 MODE=8 DQ=-40 323 0.764 319 0.249
MODEL 48 MODE=8 DQ=-30 323 0.573 319 0.187
MODEL 49 MODE=8 DQ=-20 323 0.382 321 0.245
MODEL 50 MODE=8 DQ=-10 323 0.191 323 0.191
MODEL 51 MODE=8 DQ=0 323 0.000 323 0.000
getting mode 9
running: ../../bin/get_modes.sh 2402132254012667902 9 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=9 DQ=-500 323 8.080 286 1.291
MODEL 2 MODE=9 DQ=-490 323 7.918 287 1.275
MODEL 3 MODE=9 DQ=-480 323 7.757 289 1.279
MODEL 4 MODE=9 DQ=-470 323 7.595 292 1.283
MODEL 5 MODE=9 DQ=-460 323 7.434 293 1.266
MODEL 6 MODE=9 DQ=-450 323 7.272 295 1.255
MODEL 7 MODE=9 DQ=-440 323 7.110 297 1.251
MODEL 8 MODE=9 DQ=-430 323 6.949 297 1.222
MODEL 9 MODE=9 DQ=-420 323 6.787 298 1.202
MODEL 10 MODE=9 DQ=-410 323 6.626 299 1.186
MODEL 11 MODE=9 DQ=-400 323 6.464 300 1.169
MODEL 12 MODE=9 DQ=-390 323 6.302 305 1.192
MODEL 13 MODE=9 DQ=-380 323 6.141 305 1.161
MODEL 14 MODE=9 DQ=-370 323 5.979 305 1.131
MODEL 15 MODE=9 DQ=-360 323 5.818 305 1.100
MODEL 16 MODE=9 DQ=-350 323 5.656 305 1.103
MODEL 17 MODE=9 DQ=-340 323 5.494 306 1.076
MODEL 18 MODE=9 DQ=-330 323 5.333 308 1.041
MODEL 19 MODE=9 DQ=-320 323 5.171 308 1.033
MODEL 20 MODE=9 DQ=-310 323 5.010 309 1.006
MODEL 21 MODE=9 DQ=-300 323 4.848 311 0.988
MODEL 22 MODE=9 DQ=-290 323 4.686 314 0.990
MODEL 23 MODE=9 DQ=-280 323 4.525 316 0.981
MODEL 24 MODE=9 DQ=-270 323 4.363 316 0.945
MODEL 25 MODE=9 DQ=-260 323 4.202 316 0.910
MODEL 26 MODE=9 DQ=-250 323 4.040 316 0.875
MODEL 27 MODE=9 DQ=-240 323 3.878 316 0.840
MODEL 28 MODE=9 DQ=-230 323 3.717 316 0.805
MODEL 29 MODE=9 DQ=-220 323 3.555 316 0.770
MODEL 30 MODE=9 DQ=-210 323 3.394 316 0.735
MODEL 31 MODE=9 DQ=-200 323 3.232 316 0.700
MODEL 32 MODE=9 DQ=-190 323 3.070 316 0.665
MODEL 33 MODE=9 DQ=-180 323 2.909 316 0.630
MODEL 34 MODE=9 DQ=-170 323 2.747 316 0.595
MODEL 35 MODE=9 DQ=-160 323 2.586 316 0.560
MODEL 36 MODE=9 DQ=-150 323 2.424 316 0.525
MODEL 37 MODE=9 DQ=-140 323 2.262 316 0.490
MODEL 38 MODE=9 DQ=-130 323 2.101 316 0.455
MODEL 39 MODE=9 DQ=-120 323 1.939 316 0.420
MODEL 40 MODE=9 DQ=-110 323 1.778 316 0.385
MODEL 41 MODE=9 DQ=-100 323 1.616 317 0.384
MODEL 42 MODE=9 DQ=-90 323 1.454 317 0.346
MODEL 43 MODE=9 DQ=-80 323 1.293 317 0.307
MODEL 44 MODE=9 DQ=-70 323 1.131 317 0.269
MODEL 45 MODE=9 DQ=-60 323 0.970 318 0.285
MODEL 46 MODE=9 DQ=-50 323 0.808 319 0.278
MODEL 47 MODE=9 DQ=-40 323 0.646 319 0.223
MODEL 48 MODE=9 DQ=-30 323 0.485 319 0.167
MODEL 49 MODE=9 DQ=-20 323 0.323 321 0.210
MODEL 50 MODE=9 DQ=-10 323 0.162 323 0.162
MODEL 51 MODE=9 DQ=0 323 0.000 323 0.000
getting mode 10
running: ../../bin/get_modes.sh 2402132254012667902 10 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=10 DQ=-500 323 9.183 134 1.820
MODEL 2 MODE=10 DQ=-490 323 8.999 136 1.806
MODEL 3 MODE=10 DQ=-480 323 8.815 140 1.801
MODEL 4 MODE=10 DQ=-470 323 8.632 141 1.771
MODEL 5 MODE=10 DQ=-460 323 8.448 149 1.788
MODEL 6 MODE=10 DQ=-450 323 8.264 152 1.771
MODEL 7 MODE=10 DQ=-440 323 8.081 154 1.741
MODEL 8 MODE=10 DQ=-430 323 7.897 160 1.734
MODEL 9 MODE=10 DQ=-420 323 7.713 162 1.697
MODEL 10 MODE=10 DQ=-410 323 7.530 165 1.686
MODEL 11 MODE=10 DQ=-400 323 7.346 171 1.705
MODEL 12 MODE=10 DQ=-390 323 7.162 174 1.688
MODEL 13 MODE=10 DQ=-380 323 6.979 176 1.655
MODEL 14 MODE=10 DQ=-370 323 6.795 179 1.632
MODEL 15 MODE=10 DQ=-360 323 6.611 184 1.629
MODEL 16 MODE=10 DQ=-350 323 6.428 186 1.600
MODEL 17 MODE=10 DQ=-340 323 6.244 185 1.563
MODEL 18 MODE=10 DQ=-330 323 6.060 191 1.560
MODEL 19 MODE=10 DQ=-320 323 5.877 195 1.550
MODEL 20 MODE=10 DQ=-310 323 5.693 199 1.529
MODEL 21 MODE=10 DQ=-300 323 5.510 203 1.519
MODEL 22 MODE=10 DQ=-290 323 5.326 205 1.484
MODEL 23 MODE=10 DQ=-280 323 5.142 206 1.439
MODEL 24 MODE=10 DQ=-270 323 4.959 207 1.401
MODEL 25 MODE=10 DQ=-260 323 4.775 208 1.353
MODEL 26 MODE=10 DQ=-250 323 4.591 209 1.311
MODEL 27 MODE=10 DQ=-240 323 4.408 211 1.287
MODEL 28 MODE=10 DQ=-230 323 4.224 212 1.243
MODEL 29 MODE=10 DQ=-220 323 4.040 215 1.257
MODEL 30 MODE=10 DQ=-210 323 3.857 220 1.270
MODEL 31 MODE=10 DQ=-200 323 3.673 228 1.335
MODEL 32 MODE=10 DQ=-190 323 3.489 228 1.267
MODEL 33 MODE=10 DQ=-180 323 3.306 229 1.214
MODEL 34 MODE=10 DQ=-170 323 3.122 238 1.420
MODEL 35 MODE=10 DQ=-160 323 2.938 240 1.341
MODEL 36 MODE=10 DQ=-150 323 2.755 249 1.352
MODEL 37 MODE=10 DQ=-140 323 2.571 258 1.358
MODEL 38 MODE=10 DQ=-130 323 2.388 265 1.503
MODEL 39 MODE=10 DQ=-120 323 2.204 280 1.533
MODEL 40 MODE=10 DQ=-110 323 2.020 292 1.536
MODEL 41 MODE=10 DQ=-100 323 1.837 299 1.447
MODEL 42 MODE=10 DQ=-90 323 1.653 304 1.355
MODEL 43 MODE=10 DQ=-80 323 1.469 310 1.272
MODEL 44 MODE=10 DQ=-70 323 1.286 316 1.178
MODEL 45 MODE=10 DQ=-60 323 1.102 318 1.035
MODEL 46 MODE=10 DQ=-50 323 0.918 323 0.918
MODEL 47 MODE=10 DQ=-40 323 0.735 323 0.735
MODEL 48 MODE=10 DQ=-30 323 0.551 323 0.551
MODEL 49 MODE=10 DQ=-20 323 0.367 323 0.367
MODEL 50 MODE=10 DQ=-10 323 0.184 323 0.184
MODEL 51 MODE=10 DQ=0 323 0.000 323 0.000
getting mode 11
running: ../../bin/get_modes.sh 2402132254012667902 11 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=11 DQ=-500 323 9.000 157 1.749
MODEL 2 MODE=11 DQ=-490 323 8.820 159 1.734
MODEL 3 MODE=11 DQ=-480 323 8.640 161 1.712
MODEL 4 MODE=11 DQ=-470 323 8.460 164 1.719
MODEL 5 MODE=11 DQ=-460 323 8.280 169 1.871
MODEL 6 MODE=11 DQ=-450 323 8.100 173 1.850
MODEL 7 MODE=11 DQ=-440 323 7.920 175 1.822
MODEL 8 MODE=11 DQ=-430 323 7.740 177 1.795
MODEL 9 MODE=11 DQ=-420 323 7.560 180 1.777
MODEL 10 MODE=11 DQ=-410 323 7.380 184 1.763
MODEL 11 MODE=11 DQ=-400 323 7.200 193 1.793
MODEL 12 MODE=11 DQ=-390 323 7.020 198 1.788
MODEL 13 MODE=11 DQ=-380 323 6.840 200 1.758
MODEL 14 MODE=11 DQ=-370 323 6.660 203 1.738
MODEL 15 MODE=11 DQ=-360 323 6.480 204 1.698
MODEL 16 MODE=11 DQ=-350 323 6.300 208 1.680
MODEL 17 MODE=11 DQ=-340 323 6.120 208 1.645
MODEL 18 MODE=11 DQ=-330 323 5.940 216 1.645
MODEL 19 MODE=11 DQ=-320 323 5.760 219 1.621
MODEL 20 MODE=11 DQ=-310 323 5.580 220 1.594
MODEL 21 MODE=11 DQ=-300 323 5.400 230 1.606
MODEL 22 MODE=11 DQ=-290 323 5.220 235 1.593
MODEL 23 MODE=11 DQ=-280 323 5.040 240 1.578
MODEL 24 MODE=11 DQ=-270 323 4.860 242 1.543
MODEL 25 MODE=11 DQ=-260 323 4.680 244 1.499
MODEL 26 MODE=11 DQ=-250 323 4.500 247 1.475
MODEL 27 MODE=11 DQ=-240 323 4.320 249 1.434
MODEL 28 MODE=11 DQ=-230 323 4.140 252 1.430
MODEL 29 MODE=11 DQ=-220 323 3.960 256 1.400
MODEL 30 MODE=11 DQ=-210 323 3.780 260 1.366
MODEL 31 MODE=11 DQ=-200 323 3.600 265 1.368
MODEL 32 MODE=11 DQ=-190 323 3.420 273 1.361
MODEL 33 MODE=11 DQ=-180 323 3.240 275 1.337
MODEL 34 MODE=11 DQ=-170 323 3.060 279 1.302
MODEL 35 MODE=11 DQ=-160 323 2.880 284 1.268
MODEL 36 MODE=11 DQ=-150 323 2.700 288 1.211
MODEL 37 MODE=11 DQ=-140 323 2.520 291 1.164
MODEL 38 MODE=11 DQ=-130 323 2.340 294 1.141
MODEL 39 MODE=11 DQ=-120 323 2.160 300 1.121
MODEL 40 MODE=11 DQ=-110 323 1.980 304 1.079
MODEL 41 MODE=11 DQ=-100 323 1.800 308 1.033
MODEL 42 MODE=11 DQ=-90 323 1.620 312 0.978
MODEL 43 MODE=11 DQ=-80 323 1.440 316 0.922
MODEL 44 MODE=11 DQ=-70 323 1.260 320 0.854
MODEL 45 MODE=11 DQ=-60 323 1.080 321 0.745
MODEL 46 MODE=11 DQ=-50 323 0.900 321 0.621
MODEL 47 MODE=11 DQ=-40 323 0.720 321 0.496
MODEL 48 MODE=11 DQ=-30 323 0.540 321 0.372
MODEL 49 MODE=11 DQ=-20 323 0.360 322 0.275
MODEL 50 MODE=11 DQ=-10 323 0.180 323 0.180
MODEL 51 MODE=11 DQ=0 323 0.000 323 0.000
getting mode 12
running: ../../bin/get_modes.sh 2402132254012667902 12 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=12 DQ=-500 323 8.905 175 1.577
MODEL 2 MODE=12 DQ=-490 323 8.727 179 1.587
MODEL 3 MODE=12 DQ=-480 323 8.549 185 1.532
MODEL 4 MODE=12 DQ=-470 323 8.370 187 1.546
MODEL 5 MODE=12 DQ=-460 323 8.192 190 1.542
MODEL 6 MODE=12 DQ=-450 323 8.014 193 1.572
MODEL 7 MODE=12 DQ=-440 323 7.836 193 1.536
MODEL 8 MODE=12 DQ=-430 323 7.658 196 1.520
MODEL 9 MODE=12 DQ=-420 323 7.480 198 1.509
MODEL 10 MODE=12 DQ=-410 323 7.302 201 1.501
MODEL 11 MODE=12 DQ=-400 323 7.124 203 1.481
MODEL 12 MODE=12 DQ=-390 323 6.946 206 1.479
MODEL 13 MODE=12 DQ=-380 323 6.768 210 1.479
MODEL 14 MODE=12 DQ=-370 323 6.590 210 1.442
MODEL 15 MODE=12 DQ=-360 323 6.411 211 1.441
MODEL 16 MODE=12 DQ=-350 323 6.233 215 1.421
MODEL 17 MODE=12 DQ=-340 323 6.055 216 1.393
MODEL 18 MODE=12 DQ=-330 323 5.877 217 1.382
MODEL 19 MODE=12 DQ=-320 323 5.699 222 1.379
MODEL 20 MODE=12 DQ=-310 323 5.521 222 1.430
MODEL 21 MODE=12 DQ=-300 323 5.343 226 1.408
MODEL 22 MODE=12 DQ=-290 323 5.165 228 1.375
MODEL 23 MODE=12 DQ=-280 323 4.987 231 1.376
MODEL 24 MODE=12 DQ=-270 323 4.809 234 1.317
MODEL 25 MODE=12 DQ=-260 323 4.631 236 1.295
MODEL 26 MODE=12 DQ=-250 323 4.452 238 1.274
MODEL 27 MODE=12 DQ=-240 323 4.274 242 1.444
MODEL 28 MODE=12 DQ=-230 323 4.096 247 1.416
MODEL 29 MODE=12 DQ=-220 323 3.918 250 1.385
MODEL 30 MODE=12 DQ=-210 323 3.740 255 1.359
MODEL 31 MODE=12 DQ=-200 323 3.562 257 1.317
MODEL 32 MODE=12 DQ=-190 323 3.384 261 1.299
MODEL 33 MODE=12 DQ=-180 323 3.206 267 1.296
MODEL 34 MODE=12 DQ=-170 323 3.028 270 1.350
MODEL 35 MODE=12 DQ=-160 323 2.850 273 1.301
MODEL 36 MODE=12 DQ=-150 323 2.671 281 1.310
MODEL 37 MODE=12 DQ=-140 323 2.493 286 1.265
MODEL 38 MODE=12 DQ=-130 323 2.315 289 1.225
MODEL 39 MODE=12 DQ=-120 323 2.137 293 1.179
MODEL 40 MODE=12 DQ=-110 323 1.959 295 1.105
MODEL 41 MODE=12 DQ=-100 323 1.781 300 1.054
MODEL 42 MODE=12 DQ=-90 323 1.603 302 0.974
MODEL 43 MODE=12 DQ=-80 323 1.425 306 0.929
MODEL 44 MODE=12 DQ=-70 323 1.247 314 0.937
MODEL 45 MODE=12 DQ=-60 323 1.069 315 0.814
MODEL 46 MODE=12 DQ=-50 323 0.890 320 0.759
MODEL 47 MODE=12 DQ=-40 323 0.712 322 0.642
MODEL 48 MODE=12 DQ=-30 323 0.534 322 0.481
MODEL 49 MODE=12 DQ=-20 323 0.356 323 0.356
MODEL 50 MODE=12 DQ=-10 323 0.178 323 0.178
MODEL 51 MODE=12 DQ=0 323 0.000 323 0.000
getting mode 13
running: ../../bin/get_modes.sh 2402132254012667902 13 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=13 DQ=-500 323 8.723 91 1.963
MODEL 2 MODE=13 DQ=-490 323 8.549 92 1.959
MODEL 3 MODE=13 DQ=-480 323 8.374 95 1.957
MODEL 4 MODE=13 DQ=-470 323 8.200 98 1.948
MODEL 5 MODE=13 DQ=-460 323 8.025 99 1.922
MODEL 6 MODE=13 DQ=-450 323 7.851 105 1.942
MODEL 7 MODE=13 DQ=-440 323 7.676 110 1.937
MODEL 8 MODE=13 DQ=-430 323 7.502 114 1.954
MODEL 9 MODE=13 DQ=-420 323 7.328 119 1.945
MODEL 10 MODE=13 DQ=-410 323 7.153 122 1.917
MODEL 11 MODE=13 DQ=-400 323 6.979 126 1.926
MODEL 12 MODE=13 DQ=-390 323 6.804 128 1.895
MODEL 13 MODE=13 DQ=-380 323 6.630 137 1.890
MODEL 14 MODE=13 DQ=-370 323 6.455 138 1.885
MODEL 15 MODE=13 DQ=-360 323 6.281 144 1.844
MODEL 16 MODE=13 DQ=-350 323 6.106 147 1.835
MODEL 17 MODE=13 DQ=-340 323 5.932 154 1.862
MODEL 18 MODE=13 DQ=-330 323 5.757 162 1.885
MODEL 19 MODE=13 DQ=-320 323 5.583 165 1.861
MODEL 20 MODE=13 DQ=-310 323 5.408 170 1.841
MODEL 21 MODE=13 DQ=-300 323 5.234 174 1.804
MODEL 22 MODE=13 DQ=-290 323 5.060 180 1.798
MODEL 23 MODE=13 DQ=-280 323 4.885 184 1.773
MODEL 24 MODE=13 DQ=-270 323 4.711 190 1.759
MODEL 25 MODE=13 DQ=-260 323 4.536 201 1.783
MODEL 26 MODE=13 DQ=-250 323 4.362 204 1.738
MODEL 27 MODE=13 DQ=-240 323 4.187 209 1.710
MODEL 28 MODE=13 DQ=-230 323 4.013 211 1.713
MODEL 29 MODE=13 DQ=-220 323 3.838 220 1.701
MODEL 30 MODE=13 DQ=-210 323 3.664 232 1.710
MODEL 31 MODE=13 DQ=-200 323 3.489 238 1.676
MODEL 32 MODE=13 DQ=-190 323 3.315 252 1.686
MODEL 33 MODE=13 DQ=-180 323 3.140 259 1.647
MODEL 34 MODE=13 DQ=-170 323 2.966 261 1.576
MODEL 35 MODE=13 DQ=-160 323 2.791 273 1.594
MODEL 36 MODE=13 DQ=-150 323 2.617 277 1.526
MODEL 37 MODE=13 DQ=-140 323 2.443 286 1.488
MODEL 38 MODE=13 DQ=-130 323 2.268 287 1.449
MODEL 39 MODE=13 DQ=-120 323 2.094 299 1.439
MODEL 40 MODE=13 DQ=-110 323 1.919 303 1.343
MODEL 41 MODE=13 DQ=-100 323 1.745 305 1.251
MODEL 42 MODE=13 DQ=-90 323 1.570 307 1.156
MODEL 43 MODE=13 DQ=-80 323 1.396 314 1.119
MODEL 44 MODE=13 DQ=-70 323 1.221 315 0.995
MODEL 45 MODE=13 DQ=-60 323 1.047 317 0.886
MODEL 46 MODE=13 DQ=-50 323 0.872 321 0.802
MODEL 47 MODE=13 DQ=-40 323 0.698 322 0.656
MODEL 48 MODE=13 DQ=-30 323 0.523 322 0.492
MODEL 49 MODE=13 DQ=-20 323 0.349 323 0.349
MODEL 50 MODE=13 DQ=-10 323 0.174 323 0.174
MODEL 51 MODE=13 DQ=0 323 0.000 323 0.000
getting mode 14
running: ../../bin/get_modes.sh 2402132254012667902 14 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=14 DQ=-500 323 8.417 155 1.901
MODEL 2 MODE=14 DQ=-490 323 8.249 158 1.907
MODEL 3 MODE=14 DQ=-480 323 8.080 165 1.908
MODEL 4 MODE=14 DQ=-470 323 7.912 165 1.872
MODEL 5 MODE=14 DQ=-460 323 7.744 172 1.887
MODEL 6 MODE=14 DQ=-450 323 7.575 176 1.879
MODEL 7 MODE=14 DQ=-440 323 7.407 180 1.867
MODEL 8 MODE=14 DQ=-430 323 7.239 181 1.834
MODEL 9 MODE=14 DQ=-420 323 7.070 186 1.827
MODEL 10 MODE=14 DQ=-410 323 6.902 186 1.798
MODEL 11 MODE=14 DQ=-400 323 6.734 188 1.796
MODEL 12 MODE=14 DQ=-390 323 6.565 191 1.753
MODEL 13 MODE=14 DQ=-380 323 6.397 195 1.737
MODEL 14 MODE=14 DQ=-370 323 6.228 196 1.701
MODEL 15 MODE=14 DQ=-360 323 6.060 199 1.678
MODEL 16 MODE=14 DQ=-350 323 5.892 202 1.659
MODEL 17 MODE=14 DQ=-340 323 5.724 201 1.736
MODEL 18 MODE=14 DQ=-330 323 5.555 207 1.659
MODEL 19 MODE=14 DQ=-320 323 5.387 213 1.663
MODEL 20 MODE=14 DQ=-310 323 5.218 218 1.656
MODEL 21 MODE=14 DQ=-300 323 5.050 223 1.711
MODEL 22 MODE=14 DQ=-290 323 4.882 226 1.671
MODEL 23 MODE=14 DQ=-280 323 4.713 232 1.614
MODEL 24 MODE=14 DQ=-270 323 4.545 232 1.605
MODEL 25 MODE=14 DQ=-260 323 4.377 241 1.581
MODEL 26 MODE=14 DQ=-250 323 4.208 246 1.559
MODEL 27 MODE=14 DQ=-240 323 4.040 248 1.547
MODEL 28 MODE=14 DQ=-230 323 3.872 254 1.495
MODEL 29 MODE=14 DQ=-220 323 3.703 256 1.453
MODEL 30 MODE=14 DQ=-210 323 3.535 259 1.414
MODEL 31 MODE=14 DQ=-200 323 3.367 264 1.393
MODEL 32 MODE=14 DQ=-190 323 3.198 269 1.410
MODEL 33 MODE=14 DQ=-180 323 3.030 277 1.401
MODEL 34 MODE=14 DQ=-170 323 2.862 282 1.370
MODEL 35 MODE=14 DQ=-160 323 2.693 285 1.322
MODEL 36 MODE=14 DQ=-150 323 2.525 288 1.276
MODEL 37 MODE=14 DQ=-140 323 2.357 291 1.223
MODEL 38 MODE=14 DQ=-130 323 2.188 297 1.204
MODEL 39 MODE=14 DQ=-120 323 2.020 302 1.164
MODEL 40 MODE=14 DQ=-110 323 1.852 309 1.138
MODEL 41 MODE=14 DQ=-100 323 1.683 311 1.056
MODEL 42 MODE=14 DQ=-90 323 1.515 315 0.997
MODEL 43 MODE=14 DQ=-80 323 1.347 315 0.886
MODEL 44 MODE=14 DQ=-70 323 1.178 317 0.804
MODEL 45 MODE=14 DQ=-60 323 1.010 317 0.689
MODEL 46 MODE=14 DQ=-50 323 0.842 317 0.574
MODEL 47 MODE=14 DQ=-40 323 0.673 320 0.528
MODEL 48 MODE=14 DQ=-30 323 0.505 321 0.424
MODEL 49 MODE=14 DQ=-20 323 0.337 323 0.337
MODEL 50 MODE=14 DQ=-10 323 0.168 323 0.168
MODEL 51 MODE=14 DQ=0 323 0.000 323 0.000
getting mode 15
running: ../../bin/get_modes.sh 2402132254012667902 15 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=15 DQ=-500 323 8.900 112 1.896
MODEL 2 MODE=15 DQ=-490 323 8.722 114 1.846
MODEL 3 MODE=15 DQ=-480 323 8.544 103 1.853
MODEL 4 MODE=15 DQ=-470 323 8.366 108 1.920
MODEL 5 MODE=15 DQ=-460 323 8.188 110 1.920
MODEL 6 MODE=15 DQ=-450 323 8.010 122 1.813
MODEL 7 MODE=15 DQ=-440 323 7.832 126 1.814
MODEL 8 MODE=15 DQ=-430 323 7.654 126 1.797
MODEL 9 MODE=15 DQ=-420 323 7.476 127 1.831
MODEL 10 MODE=15 DQ=-410 323 7.298 131 1.854
MODEL 11 MODE=15 DQ=-400 323 7.120 135 1.835
MODEL 12 MODE=15 DQ=-390 323 6.942 140 1.858
MODEL 13 MODE=15 DQ=-380 323 6.764 148 1.818
MODEL 14 MODE=15 DQ=-370 323 6.586 151 1.797
MODEL 15 MODE=15 DQ=-360 323 6.408 143 1.981
MODEL 16 MODE=15 DQ=-350 323 6.230 161 1.821
MODEL 17 MODE=15 DQ=-340 323 6.052 170 1.828
MODEL 18 MODE=15 DQ=-330 323 5.874 176 1.829
MODEL 19 MODE=15 DQ=-320 323 5.696 182 1.823
MODEL 20 MODE=15 DQ=-310 323 5.518 183 1.779
MODEL 21 MODE=15 DQ=-300 323 5.340 190 1.799
MODEL 22 MODE=15 DQ=-290 323 5.162 197 1.795
MODEL 23 MODE=15 DQ=-280 323 4.984 204 1.822
MODEL 24 MODE=15 DQ=-270 323 4.806 208 1.779
MODEL 25 MODE=15 DQ=-260 323 4.628 213 1.747
MODEL 26 MODE=15 DQ=-250 323 4.450 215 1.700
MODEL 27 MODE=15 DQ=-240 323 4.272 221 1.724
MODEL 28 MODE=15 DQ=-230 323 4.094 225 1.675
MODEL 29 MODE=15 DQ=-220 323 3.916 233 1.665
MODEL 30 MODE=15 DQ=-210 323 3.738 244 1.682
MODEL 31 MODE=15 DQ=-200 323 3.560 248 1.636
MODEL 32 MODE=15 DQ=-190 323 3.382 255 1.700
MODEL 33 MODE=15 DQ=-180 323 3.204 263 1.666
MODEL 34 MODE=15 DQ=-170 323 3.026 270 1.625
MODEL 35 MODE=15 DQ=-160 323 2.848 278 1.578
MODEL 36 MODE=15 DQ=-150 323 2.670 283 1.527
MODEL 37 MODE=15 DQ=-140 323 2.492 289 1.479
MODEL 38 MODE=15 DQ=-130 323 2.314 295 1.432
MODEL 39 MODE=15 DQ=-120 323 2.136 302 1.399
MODEL 40 MODE=15 DQ=-110 323 1.958 305 1.313
MODEL 41 MODE=15 DQ=-100 323 1.780 309 1.234
MODEL 42 MODE=15 DQ=-90 323 1.602 310 1.121
MODEL 43 MODE=15 DQ=-80 323 1.424 313 1.031
MODEL 44 MODE=15 DQ=-70 323 1.246 317 0.951
MODEL 45 MODE=15 DQ=-60 323 1.068 318 0.828
MODEL 46 MODE=15 DQ=-50 323 0.890 319 0.706
MODEL 47 MODE=15 DQ=-40 323 0.712 319 0.565
MODEL 48 MODE=15 DQ=-30 323 0.534 322 0.482
MODEL 49 MODE=15 DQ=-20 323 0.356 323 0.356
MODEL 50 MODE=15 DQ=-10 323 0.178 323 0.178
MODEL 51 MODE=15 DQ=0 323 0.000 323 0.000
getting mode 16
running: ../../bin/get_modes.sh 2402132254012667902 16 -500 500 10 on on
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-490
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-480
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-470
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-460
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-450
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-440
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-430
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-420
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-410
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-400
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-390
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-380
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-370
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-360
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-350
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-340
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-330
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-320
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-310
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-300
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-290
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-280
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-270
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-260
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-250
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-240
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-230
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-220
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-210
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-200
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-190
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-180
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-170
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-160
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-150
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-140
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-130
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-120
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-110
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-100
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-90
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-80
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-70
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-60
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-50
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-40
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-30
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-20
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=-10
2402132254012667902.eigenfacs
2402132254012667902.atom
calculating perturbed structure for DQ=0
2402132254012667902.eigenfacs
2402132254012667902.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2402132254012667902.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2402132254012667902.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=16 DQ=-500 323 8.620 95 1.791
MODEL 2 MODE=16 DQ=-490 323 8.447 96 1.786
MODEL 3 MODE=16 DQ=-480 323 8.275 74 1.871
MODEL 4 MODE=16 DQ=-470 323 8.103 103 1.810
MODEL 5 MODE=16 DQ=-460 323 7.930 103 1.765
MODEL 6 MODE=16 DQ=-450 323 7.758 106 1.798
MODEL 7 MODE=16 DQ=-440 323 7.585 80 1.796
MODEL 8 MODE=16 DQ=-430 323 7.413 107 1.735
MODEL 9 MODE=16 DQ=-420 323 7.241 113 1.751
MODEL 10 MODE=16 DQ=-410 323 7.068 120 1.790
MODEL 11 MODE=16 DQ=-400 323 6.896 127 1.749
MODEL 12 MODE=16 DQ=-390 323 6.723 133 1.742
MODEL 13 MODE=16 DQ=-380 323 6.551 133 1.731
MODEL 14 MODE=16 DQ=-370 323 6.379 136 1.744
MODEL 15 MODE=16 DQ=-360 323 6.206 138 1.712
MODEL 16 MODE=16 DQ=-350 323 6.034 140 1.709
MODEL 17 MODE=16 DQ=-340 323 5.861 142 1.677
MODEL 18 MODE=16 DQ=-330 323 5.689 147 1.658
MODEL 19 MODE=16 DQ=-320 323 5.517 165 1.716
MODEL 20 MODE=16 DQ=-310 323 5.344 169 1.701
MODEL 21 MODE=16 DQ=-300 323 5.172 174 1.695
MODEL 22 MODE=16 DQ=-290 323 4.999 175 1.645
MODEL 23 MODE=16 DQ=-280 323 4.827 179 1.647
MODEL 24 MODE=16 DQ=-270 323 4.655 153 1.875
MODEL 25 MODE=16 DQ=-260 323 4.482 157 1.870
MODEL 26 MODE=16 DQ=-250 323 4.310 162 1.706
MODEL 27 MODE=16 DQ=-240 323 4.138 172 1.856
MODEL 28 MODE=16 DQ=-230 323 3.965 180 1.835
MODEL 29 MODE=16 DQ=-220 323 3.793 200 1.499
MODEL 30 MODE=16 DQ=-210 323 3.620 207 1.713
MODEL 31 MODE=16 DQ=-200 323 3.448 215 1.775
MODEL 32 MODE=16 DQ=-190 323 3.276 225 1.757
MODEL 33 MODE=16 DQ=-180 323 3.103 233 1.757
MODEL 34 MODE=16 DQ=-170 323 2.931 243 1.804
MODEL 35 MODE=16 DQ=-160 323 2.758 257 1.780
MODEL 36 MODE=16 DQ=-150 323 2.586 265 1.727
MODEL 37 MODE=16 DQ=-140 323 2.414 274 1.674
MODEL 38 MODE=16 DQ=-130 323 2.241 283 1.628
MODEL 39 MODE=16 DQ=-120 323 2.069 291 1.563
MODEL 40 MODE=16 DQ=-110 323 1.896 299 1.503
MODEL 41 MODE=16 DQ=-100 323 1.724 302 1.388
MODEL 42 MODE=16 DQ=-90 323 1.552 307 1.302
MODEL 43 MODE=16 DQ=-80 323 1.379 313 1.223
MODEL 44 MODE=16 DQ=-70 323 1.207 316 1.102
MODEL 45 MODE=16 DQ=-60 323 1.034 321 1.002
MODEL 46 MODE=16 DQ=-50 323 0.862 322 0.846
MODEL 47 MODE=16 DQ=-40 323 0.690 323 0.690
MODEL 48 MODE=16 DQ=-30 323 0.517 323 0.517
MODEL 49 MODE=16 DQ=-20 323 0.345 323 0.345
MODEL 50 MODE=16 DQ=-10 323 0.172 323 0.172
MODEL 51 MODE=16 DQ=0 323 0.000 323 0.000
2402132254012667902.10.pdb
2402132254012667902.11.pdb
2402132254012667902.12.pdb
2402132254012667902.13.pdb
2402132254012667902.14.pdb
2402132254012667902.15.pdb
2402132254012667902.16.pdb
2402132254012667902.7.pdb
2402132254012667902.8.pdb
2402132254012667902.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.046s
user 0m14.991s
sys 0m0.032s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402132254012667902.Chkmod.res: No such file or directory
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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