*** FXIa G216A-G226A ***
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 = 2602071309593453456.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 2602071309593453456.atom to be opened.
Openam> File opened: 2602071309593453456.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1892
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -0.354816 +/- 9.061464 From: -24.234000 To: 22.963000
= -0.812293 +/- 10.737027 From: -25.309000 To: 27.697000
= 1.676378 +/- 9.525706 From: -21.596000 To: 24.123000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.3631 % Filled.
Pdbmat> 702950 non-zero elements.
Pdbmat> 76852 atom-atom interactions.
Pdbmat> Number per atom= 81.24 +/- 24.81
Maximum number = 128
Minimum number = 12
Pdbmat> Matrix trace = 1.537040E+06
Pdbmat> Larger element = 495.085
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
238 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2602071309593453456.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 2602071309593453456.atom to be opened.
Openam> file on opening on unit 11:
2602071309593453456.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1892 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 238 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 16
Blocpdb> 12 atoms in block 3
Block first atom: 24
Blocpdb> 13 atoms in block 4
Block first atom: 36
Blocpdb> 15 atoms in block 5
Block first atom: 49
Blocpdb> 23 atoms in block 6
Block first atom: 64
Blocpdb> 21 atoms in block 7
Block first atom: 87
Blocpdb> 16 atoms in block 8
Block first atom: 108
Blocpdb> 15 atoms in block 9
Block first atom: 124
Blocpdb> 17 atoms in block 10
Block first atom: 139
Blocpdb> 13 atoms in block 11
Block first atom: 156
Blocpdb> 14 atoms in block 12
Block first atom: 169
Blocpdb> 20 atoms in block 13
Block first atom: 183
Blocpdb> 18 atoms in block 14
Block first atom: 203
Blocpdb> 10 atoms in block 15
Block first atom: 221
Blocpdb> 10 atoms in block 16
Block first atom: 231
Blocpdb> 16 atoms in block 17
Block first atom: 241
Blocpdb> 12 atoms in block 18
Block first atom: 257
Blocpdb> 23 atoms in block 19
Block first atom: 269
Blocpdb> 16 atoms in block 20
Block first atom: 292
Blocpdb> 12 atoms in block 21
Block first atom: 308
Blocpdb> 15 atoms in block 22
Block first atom: 320
Blocpdb> 17 atoms in block 23
Block first atom: 335
Blocpdb> 16 atoms in block 24
Block first atom: 352
Blocpdb> 16 atoms in block 25
Block first atom: 368
Blocpdb> 13 atoms in block 26
Block first atom: 384
Blocpdb> 17 atoms in block 27
Block first atom: 397
Blocpdb> 19 atoms in block 28
Block first atom: 414
Blocpdb> 19 atoms in block 29
Block first atom: 433
Blocpdb> 10 atoms in block 30
Block first atom: 452
Blocpdb> 16 atoms in block 31
Block first atom: 462
Blocpdb> 18 atoms in block 32
Block first atom: 478
Blocpdb> 15 atoms in block 33
Block first atom: 496
Blocpdb> 17 atoms in block 34
Block first atom: 511
Blocpdb> 17 atoms in block 35
Block first atom: 528
Blocpdb> 13 atoms in block 36
Block first atom: 545
Blocpdb> 22 atoms in block 37
Block first atom: 558
Blocpdb> 11 atoms in block 38
Block first atom: 580
Blocpdb> 18 atoms in block 39
Block first atom: 591
Blocpdb> 16 atoms in block 40
Block first atom: 609
Blocpdb> 18 atoms in block 41
Block first atom: 625
Blocpdb> 17 atoms in block 42
Block first atom: 643
Blocpdb> 21 atoms in block 43
Block first atom: 660
Blocpdb> 13 atoms in block 44
Block first atom: 681
Blocpdb> 15 atoms in block 45
Block first atom: 694
Blocpdb> 16 atoms in block 46
Block first atom: 709
Blocpdb> 16 atoms in block 47
Block first atom: 725
Blocpdb> 13 atoms in block 48
Block first atom: 741
Blocpdb> 17 atoms in block 49
Block first atom: 754
Blocpdb> 17 atoms in block 50
Block first atom: 771
Blocpdb> 14 atoms in block 51
Block first atom: 788
Blocpdb> 16 atoms in block 52
Block first atom: 802
Blocpdb> 19 atoms in block 53
Block first atom: 818
Blocpdb> 14 atoms in block 54
Block first atom: 837
Blocpdb> 20 atoms in block 55
Block first atom: 851
Blocpdb> 15 atoms in block 56
Block first atom: 871
Blocpdb> 14 atoms in block 57
Block first atom: 886
Blocpdb> 13 atoms in block 58
Block first atom: 900
Blocpdb> 13 atoms in block 59
Block first atom: 913
Blocpdb> 19 atoms in block 60
Block first atom: 926
Blocpdb> 15 atoms in block 61
Block first atom: 945
Blocpdb> 20 atoms in block 62
Block first atom: 960
Blocpdb> 15 atoms in block 63
Block first atom: 980
Blocpdb> 20 atoms in block 64
Block first atom: 995
Blocpdb> 14 atoms in block 65
Block first atom: 1015
Blocpdb> 18 atoms in block 66
Block first atom: 1029
Blocpdb> 16 atoms in block 67
Block first atom: 1047
Blocpdb> 20 atoms in block 68
Block first atom: 1063
Blocpdb> 19 atoms in block 69
Block first atom: 1083
Blocpdb> 17 atoms in block 70
Block first atom: 1102
Blocpdb> 17 atoms in block 71
Block first atom: 1119
Blocpdb> 15 atoms in block 72
Block first atom: 1136
Blocpdb> 17 atoms in block 73
Block first atom: 1151
Blocpdb> 14 atoms in block 74
Block first atom: 1168
Blocpdb> 17 atoms in block 75
Block first atom: 1182
Blocpdb> 15 atoms in block 76
Block first atom: 1199
Blocpdb> 14 atoms in block 77
Block first atom: 1214
Blocpdb> 17 atoms in block 78
Block first atom: 1228
Blocpdb> 15 atoms in block 79
Block first atom: 1245
Blocpdb> 18 atoms in block 80
Block first atom: 1260
Blocpdb> 23 atoms in block 81
Block first atom: 1278
Blocpdb> 15 atoms in block 82
Block first atom: 1301
Blocpdb> 19 atoms in block 83
Block first atom: 1316
Blocpdb> 15 atoms in block 84
Block first atom: 1335
Blocpdb> 19 atoms in block 85
Block first atom: 1350
Blocpdb> 16 atoms in block 86
Block first atom: 1369
Blocpdb> 11 atoms in block 87
Block first atom: 1385
Blocpdb> 16 atoms in block 88
Block first atom: 1396
Blocpdb> 20 atoms in block 89
Block first atom: 1412
Blocpdb> 8 atoms in block 90
Block first atom: 1432
Blocpdb> 17 atoms in block 91
Block first atom: 1440
Blocpdb> 11 atoms in block 92
Block first atom: 1457
Blocpdb> 13 atoms in block 93
Block first atom: 1468
Blocpdb> 14 atoms in block 94
Block first atom: 1481
Blocpdb> 8 atoms in block 95
Block first atom: 1495
Blocpdb> 15 atoms in block 96
Block first atom: 1503
Blocpdb> 12 atoms in block 97
Block first atom: 1518
Blocpdb> 19 atoms in block 98
Block first atom: 1530
Blocpdb> 17 atoms in block 99
Block first atom: 1549
Blocpdb> 21 atoms in block 100
Block first atom: 1566
Blocpdb> 18 atoms in block 101
Block first atom: 1587
Blocpdb> 11 atoms in block 102
Block first atom: 1605
Blocpdb> 15 atoms in block 103
Block first atom: 1616
Blocpdb> 20 atoms in block 104
Block first atom: 1631
Blocpdb> 14 atoms in block 105
Block first atom: 1651
Blocpdb> 10 atoms in block 106
Block first atom: 1665
Blocpdb> 14 atoms in block 107
Block first atom: 1675
Blocpdb> 20 atoms in block 108
Block first atom: 1689
Blocpdb> 18 atoms in block 109
Block first atom: 1709
Blocpdb> 12 atoms in block 110
Block first atom: 1727
Blocpdb> 19 atoms in block 111
Block first atom: 1739
Blocpdb> 15 atoms in block 112
Block first atom: 1758
Blocpdb> 16 atoms in block 113
Block first atom: 1773
Blocpdb> 19 atoms in block 114
Block first atom: 1789
Blocpdb> 22 atoms in block 115
Block first atom: 1808
Blocpdb> 16 atoms in block 116
Block first atom: 1830
Blocpdb> 18 atoms in block 117
Block first atom: 1846
Blocpdb> 16 atoms in block 118
Block first atom: 1864
Blocpdb> 13 atoms in block 119
Block first atom: 1879
Blocpdb> 119 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 703069 matrix lines read.
Prepmat> Matrix order = 5676
Prepmat> Matrix trace = 1537040.0000
Prepmat> Last element read: 5676 5676 29.4834
Prepmat> 7141 lines saved.
Prepmat> 5810 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 1892
RTB> Total mass = 1892.0000
RTB> Number of atoms found in matrix: 1892
RTB> Number of blocks = 119
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 163911.5818
RTB> 46095 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 714
Diagstd> Nb of non-zero elements: 46095
Diagstd> Projected matrix trace = 163911.5818
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 714 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 163911.5818
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 4.9815616 5.8488397 6.6582968 7.3949818
9.1470790 9.9461051 10.4783795 11.4559910 12.3235345
13.2446557 14.3724311 14.6755213 15.8158541 16.5905409
17.7015077 18.1760024 18.8977628 19.4306242 19.8860090
20.8128839 21.4176707 22.8599699 23.9051386 25.3874326
26.2409966 26.7767234 27.5389570 28.4462786 28.6908621
28.8819441 30.2423459 31.6335208 32.5550508 33.5243391
34.1289465 34.3763886 35.2545218 36.5584680 37.4437256
38.3194234 38.8840298 39.8789401 40.3603334 41.4787819
41.9911039 42.8731569 43.6769154 44.3064676 45.2321470
45.8152744 47.1145085 47.7910365 48.6097166 49.6803392
50.4634121 51.0914068 52.7402210 53.5495566 54.0596338
55.1298655 55.9093706 56.1373518 56.8823236 58.0344532
58.7809145 59.2478297 60.0465629 60.8386034 61.2805653
62.0655851 63.1150223 63.6951956 64.1495877 65.5300503
65.9207598 66.4624357 67.2258613 68.0925970 68.5038159
70.4946571 71.2107291 72.3436463 73.0323763 73.4517428
73.7877196 75.0362780 76.9497307 77.2548297 77.9711672
78.5343585 79.0867494 79.7587759 80.5856297 81.0588629
81.6315877 82.1005558 84.2743461 84.5476860 85.1486956
86.4578143
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034321 0.0034329 0.0034341 0.0034341
0.0034343 242.3695367 262.6214171 280.2056291 295.3002644
328.4252175 342.4694237 351.5137700 367.5459254 381.2088045
395.1987991 411.6805959 415.9987723 431.8586331 442.3087724
456.8781714 462.9610619 472.0635594 478.6726970 484.2494050
495.4061697 502.5524547 519.1981149 530.9344589 547.1478180
556.2697491 561.9193614 569.8611156 579.1726032 581.6571613
583.5908740 597.1769255 610.7578339 619.5900984 628.7462282
634.3905738 636.6861542 644.7668407 656.5824567 664.4844267
672.2096814 677.1438121 685.7520013 689.8785670 699.3720589
703.6779238 711.0301421 717.6641627 722.8178076 730.3295642
735.0221490 745.3712079 750.7036112 757.1062387 765.3984114
771.4070196 776.1920865 788.6172142 794.6451184 798.4207771
806.2853092 811.9655096 813.6192982 819.0000808 827.2527673
832.5559892 835.8560757 841.4713943 847.0029017 850.0738598
855.5013661 862.7036795 866.6597318 869.7455493 879.0539522
881.6706475 885.2856137 890.3555449 896.0767917 898.7784736
911.7449811 916.3639521 923.6245706 928.0107265 930.6713243
932.7973948 940.6561998 952.5742391 954.4608080 958.8756673
962.3324502 965.7109216 969.8052265 974.8192175 977.6773047
981.1251355 983.9393487 996.8802132 998.4955716 1002.0382039
1009.7117412
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1892
Rtb_to_modes> Number of blocs = 119
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9871E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9889E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9939E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.982
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.849
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.658
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.395
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.147
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.946
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 10.48
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.46
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.32
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.24
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 14.37
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 14.68
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 15.82
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 16.59
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 17.70
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.18
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.90
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 19.89
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.81
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.42
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 22.86
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.91
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 25.39
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.78
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.54
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 28.45
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.69
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.88
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 30.24
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.63
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.56
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.52
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.13
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 34.38
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 35.25
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.56
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.44
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 38.88
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 39.88
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 40.36
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.48
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 41.99
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 42.87
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.68
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 44.31
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 45.23
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.82
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 47.11
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 47.79
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 48.61
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 49.68
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 50.46
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 51.09
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 52.74
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 53.55
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 54.06
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 55.13
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 55.91
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 56.14
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.88
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 58.03
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 58.78
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 59.25
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 60.05
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.84
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 61.28
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 62.07
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 63.12
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 63.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 64.15
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 65.53
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 65.92
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 66.46
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 67.23
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 68.09
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 68.50
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 70.49
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 71.21
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 72.34
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 73.03
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 73.45
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 73.79
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 75.04
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 76.95
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 77.25
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 77.97
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 78.53
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 79.09
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 79.76
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 80.59
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 81.06
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 81.63
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 82.10
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 84.27
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 84.55
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 85.15
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 86.46
Rtb_to_modes> 106 vectors, with 714 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 0.99997 1.00000 0.99999
0.99994 0.99999 1.00000 1.00004 1.00000
1.00002 1.00005 0.99996 0.99996 1.00002
0.99999 0.99999 1.00000 1.00000 1.00000
0.99998 0.99999 0.99999 0.99998 1.00002
1.00001 0.99997 1.00001 0.99997 1.00002
1.00001 0.99998 1.00003 0.99998 0.99999
1.00003 1.00001 1.00000 0.99999 0.99999
1.00000 0.99999 0.99998 1.00000 0.99999
0.99998 1.00002 1.00000 1.00001 0.99999
1.00001 1.00000 1.00004 0.99999 1.00000
0.99998 1.00001 1.00003 0.99997 0.99998
1.00000 1.00003 1.00002 0.99999 0.99999
1.00000 1.00001 1.00002 1.00002 1.00000
0.99994 0.99996 0.99998 1.00000 1.00003
1.00001 0.99998 0.99997 0.99998 0.99997
0.99999 1.00002 1.00001 1.00000 0.99999
0.99997 1.00000 0.99997 1.00003 1.00002
0.99999 1.00000 1.00001 0.99999 0.99997
1.00002 0.99998 1.00000 1.00000 1.00003
1.00003 1.00001 1.00000 1.00000 1.00001
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 34056 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 0.99997 1.00000 0.99999
0.99994 0.99999 1.00000 1.00004 1.00000
1.00002 1.00005 0.99996 0.99996 1.00002
0.99999 0.99999 1.00000 1.00000 1.00000
0.99998 0.99999 0.99999 0.99998 1.00002
1.00001 0.99997 1.00001 0.99997 1.00002
1.00001 0.99998 1.00003 0.99998 0.99999
1.00003 1.00001 1.00000 0.99999 0.99999
1.00000 0.99999 0.99998 1.00000 0.99999
0.99998 1.00002 1.00000 1.00001 0.99999
1.00001 1.00000 1.00004 0.99999 1.00000
0.99998 1.00001 1.00003 0.99997 0.99998
1.00000 1.00003 1.00002 0.99999 0.99999
1.00000 1.00001 1.00002 1.00002 1.00000
0.99994 0.99996 0.99998 1.00000 1.00003
1.00001 0.99998 0.99997 0.99998 0.99997
0.99999 1.00002 1.00001 1.00000 0.99999
0.99997 1.00000 0.99997 1.00003 1.00002
0.99999 1.00000 1.00001 0.99999 0.99997
1.00002 0.99998 1.00000 1.00000 1.00003
1.00003 1.00001 1.00000 1.00000 1.00001
1.00004
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> 2602071309593453456.eigenfacs
Openam> file on opening on unit 10:
2602071309593453456.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602071309593453456.atom
Openam> file on opening on unit 11:
2602071309593453456.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1892
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9871E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9889E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 14.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 17.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 22.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 25.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 28.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 30.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 34.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 35.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 38.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 39.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 40.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 41.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 42.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 44.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 45.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 45.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 47.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 47.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 48.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 49.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 50.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 51.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 52.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 53.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 54.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 55.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 55.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 56.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 58.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 58.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 59.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 60.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 61.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 62.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 63.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 63.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 64.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 65.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 65.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 66.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 67.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 68.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 68.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 70.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 71.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 72.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 73.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 73.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 73.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 75.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 76.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 77.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 77.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 78.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 79.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 79.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 80.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 81.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 81.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 82.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 84.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 84.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 85.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 86.46
Bfactors> 106 vectors, 5676 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 4.982000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.599 for 238 C-alpha atoms.
Bfactors> = 0.021 +/- 0.02
Bfactors> = 97.631 +/- 3.06
Bfactors> Shiftng-fct= 97.610
Bfactors> Scaling-fct= 134.949
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602071309593453456.eigenfacs
Openam> file on opening on unit 10:
2602071309593453456.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4316E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4319E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 242.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 262.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 280.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 295.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 328.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 342.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 351.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 367.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 381.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 395.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 411.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 416.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 431.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 442.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 456.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 463.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 472.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 478.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 484.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 495.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 502.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 519.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 531.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 547.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 556.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 561.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 569.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 579.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 581.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 583.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 597.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 610.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 619.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 628.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 634.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 636.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 644.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 656.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 664.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 672.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 677.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 685.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 689.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 699.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 703.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 711.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 717.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 722.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 730.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 735.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 745.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 750.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 757.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 765.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 771.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 776.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 788.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 794.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 798.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 806.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 811.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 813.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 818.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 827.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 832.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 835.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 841.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 847.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 850.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 855.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 862.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 866.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 869.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 879.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 881.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 885.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 890.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 896.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 898.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 911.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 916.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 923.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 928.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 930.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 932.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 940.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 952.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 954.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 958.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 962.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 965.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 969.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 974.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 977.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 981.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 983.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 996.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 998.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 1002.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1010.
Chkmod> 106 vectors, 5676 coordinates in file.
Chkmod> That is: 1892 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 6 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 9 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 12 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 71 is: 0.9999 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.9005
0.0034 0.7484
0.0034 0.7846
0.0034 0.9311
0.0034 0.7609
0.0034 0.7549
242.3698 0.4178
262.6137 0.3823
280.1874 0.0149
295.2880 0.1774
328.4097 0.2553
342.4529 0.3385
351.5259 0.1518
367.5944 0.0630
381.1378 0.2731
395.1124 0.2570
411.6281 0.1810
416.0444 0.3548
431.8967 0.2428
442.2826 0.5253
456.8391 0.1117
462.9921 0.3984
472.0712 0.5472
478.6445 0.3207
484.2772 0.2930
495.3506 0.5845
502.5582 0.3865
519.1762 0.3297
530.9656 0.2048
547.1520 0.3216
556.2353 0.0998
561.9296 0.3124
569.8474 0.4210
579.1856 0.5252
581.6235 0.5297
583.5462 0.2799
597.1281 0.5621
610.6976 0.4751
619.6106 0.4413
628.6785 0.3395
634.3731 0.3066
636.6923 0.4357
644.6978 0.3245
656.5680 0.2133
664.4228 0.3101
672.1859 0.3476
677.0797 0.4567
685.7317 0.3235
689.8461 0.4086
699.3523 0.5220
703.6385 0.4171
710.9734 0.2047
717.6587 0.4274
722.8156 0.4048
730.2809 0.4613
735.0285 0.4778
745.3035 0.3678
750.6632 0.4759
757.0759 0.3940
765.3629 0.2890
771.3478 0.4333
776.1481 0.4984
788.5817 0.2259
794.6143 0.3589
798.3892 0.4103
806.2517 0.2651
811.9352 0.3596
813.6036 0.4692
818.9482 0.4316
827.1855 0.2685
832.5138 0.3198
835.8355 0.3362
841.4594 0.5148
846.9763 0.3667
850.0334 0.3453
855.4951 0.3394
862.7007 0.3517
866.6552 0.4294
869.7110 0.3245
879.0159 0.3446
881.6277 0.4971
885.2314 0.3793
890.3447 0.3264
896.0212 0.4254
898.7149 0.5016
911.6757 0.4086
916.3199 0.4806
923.5616 0.2975
927.9558 0.3308
930.6203 0.3470
932.7718 0.4323
940.6391 0.4615
952.5350 0.4819
954.3900 0.5658
958.8273 0.4240
962.2644 0.4193
965.6893 0.4228
969.7710 0.3683
974.8038 0.3710
977.6422 0.1701
981.0735 0.4072
983.8938 0.4922
996.8117 0.4275
998.4664 0.4503
1002.0029 0.4291
1009.6812 0.2940
getting mode 7
running: ../../bin/get_modes.sh 2602071309593453456 7 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2602071309593453456 8 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2602071309593453456 9 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2602071309593453456 10 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2602071309593453456 11 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2602071309593453456 12 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2602071309593453456 13 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2602071309593453456 14 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2602071309593453456 15 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2602071309593453456 16 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2602071309593453456 17 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2602071309593453456 18 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2602071309593453456 19 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2602071309593453456 20 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2602071309593453456 21 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2602071309593453456 22 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2602071309593453456 23 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2602071309593453456 24 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2602071309593453456 25 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2602071309593453456 26 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2602071309593453456 27 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2602071309593453456 28 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2602071309593453456 29 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2602071309593453456 30 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2602071309593453456 31 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=-50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=0
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=50
2602071309593453456.eigenfacs
2602071309593453456.atom
calculating perturbed structure for DQ=100
2602071309593453456.eigenfacs
2602071309593453456.atom
making animated gifs
5 models are in 2602071309593453456.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071309593453456.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2602071309593453456.10.pdb
2602071309593453456.11.pdb
2602071309593453456.12.pdb
2602071309593453456.13.pdb
2602071309593453456.14.pdb
2602071309593453456.15.pdb
2602071309593453456.16.pdb
2602071309593453456.17.pdb
2602071309593453456.18.pdb
2602071309593453456.19.pdb
2602071309593453456.20.pdb
2602071309593453456.21.pdb
2602071309593453456.22.pdb
2602071309593453456.23.pdb
2602071309593453456.24.pdb
2602071309593453456.25.pdb
2602071309593453456.26.pdb
2602071309593453456.27.pdb
2602071309593453456.28.pdb
2602071309593453456.29.pdb
2602071309593453456.30.pdb
2602071309593453456.31.pdb
2602071309593453456.7.pdb
2602071309593453456.8.pdb
2602071309593453456.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.706s
user 0m6.650s
sys 0m0.054s
rm: cannot remove '2602071309593453456.sdijf': No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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