***  FXIa G216A  ***
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 = 2602071232343282027.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 2602071232343282027.atom to be opened.
Openam> File opened: 2602071232343282027.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 = 1891
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -0.875484 +/- 11.143570 From: -26.968000 To: 25.772000
= 0.275224 +/- 9.356125 From: -20.449000 To: 21.424000
= -0.148302 +/- 8.708666 From: -20.736000 To: 22.210000
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 4.3686 % Filled.
Pdbmat> 703099 non-zero elements.
Pdbmat> 76872 atom-atom interactions.
Pdbmat> Number per atom= 81.30 +/- 24.88
Maximum number = 128
Minimum number = 12
Pdbmat> Matrix trace = 1.537440E+06
Pdbmat> Larger element = 468.767
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 = 2602071232343282027.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 2602071232343282027.atom to be opened.
Openam> file on opening on unit 11:
2602071232343282027.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1891 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> 11 atoms in block 110
Block first atom: 1727
Blocpdb> 19 atoms in block 111
Block first atom: 1738
Blocpdb> 15 atoms in block 112
Block first atom: 1757
Blocpdb> 16 atoms in block 113
Block first atom: 1772
Blocpdb> 19 atoms in block 114
Block first atom: 1788
Blocpdb> 22 atoms in block 115
Block first atom: 1807
Blocpdb> 16 atoms in block 116
Block first atom: 1829
Blocpdb> 18 atoms in block 117
Block first atom: 1845
Blocpdb> 16 atoms in block 118
Block first atom: 1863
Blocpdb> 13 atoms in block 119
Block first atom: 1878
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> 703218 matrix lines read.
Prepmat> Matrix order = 5673
Prepmat> Matrix trace = 1537440.0000
Prepmat> Last element read: 5673 5673 44.4873
Prepmat> 7141 lines saved.
Prepmat> 5806 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: 1891
RTB> Total mass = 1891.0000
RTB> Number of atoms found in matrix: 1891
RTB> Number of blocks = 119
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 164179.3490
RTB> 46239 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: 46239
Diagstd> Projected matrix trace = 164179.3490
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 = 164179.3490
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 5.1002249 5.9253886 6.4800709 7.7625231
9.3315863 10.0623447 10.1982029 11.7644932 12.3322707
13.4411501 14.6653186 14.8159295 15.8411424 16.6701196
17.8471595 18.3419318 18.9672653 19.3127437 19.7565391
20.7958900 21.5151374 22.8214735 23.6785981 25.1857179
26.4047697 26.8102132 27.2635908 28.6122909 28.7957330
29.8330287 30.4469800 31.7416916 31.8663962 33.4313146
33.8711732 35.2868392 36.0448744 36.7224550 37.7877685
38.4358326 39.2673345 39.7224470 40.1307290 41.7830388
42.1896079 43.2541010 43.6897979 44.2820767 45.3506317
45.8233116 46.4536912 47.7811929 48.2545988 49.5781935
50.8787596 51.7929497 52.4082022 53.2636536 54.7561657
55.4502684 55.8340572 56.4307668 56.6924862 57.8881785
58.0230758 58.7114057 59.6230827 60.5202398 60.7238773
61.6229244 62.5298203 63.9968800 64.1106667 65.3913184
65.8366976 66.8456249 67.8686188 68.7052034 69.3684558
70.4163932 71.0700187 72.0781401 72.5534396 73.4638080
73.6318051 75.4543201 76.2469230 76.9277128 77.7268273
78.3799517 78.7302476 80.7626768 81.3744860 81.4619622
82.0531641 82.3332924 84.0192819 84.6507574 85.1450941
85.7836583
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034330 0.0034330 0.0034334 0.0034335
0.0034339 245.2392307 264.3344095 276.4299917 302.5497038
331.7210400 344.4648210 346.7824451 372.4619315 381.3439003
398.1195422 415.8541420 417.9840710 432.2037484 443.3682990
458.7539667 465.0694559 472.9308440 477.2184969 482.6704531
495.2038763 503.6946546 518.7607643 528.4127316 544.9698140
558.0029206 562.2706499 567.0048941 580.8601681 582.7192283
593.1218909 599.1939110 611.8011857 613.0018084 627.8732886
631.9902814 645.0622984 651.9541261 658.0533947 667.5301764
673.2299482 680.4731461 684.4051636 687.9134560 701.9324037
705.3392060 714.1820409 717.7699929 722.6188232 731.2854806
735.0866172 740.1255460 750.6262955 754.3356529 764.6111544
774.5751105 781.5029166 786.1309801 792.5209603 803.5479452
808.6248928 811.4184412 815.7428127 817.6322852 826.2095726
827.1716741 832.0635928 838.4988933 844.7838456 846.2039093
852.4451274 858.6948741 868.7097207 869.4816620 878.1229486
881.1083143 887.8340035 894.6018374 900.0986182 904.4327787
911.2387267 915.4581494 921.9281295 924.9628354 930.7477570
931.8113671 943.2728522 948.2141708 952.4379472 957.3720641
961.3859615 963.5318805 975.8894717 979.5788720 980.1052461
983.6553237 985.3329853 995.3704946 999.1040152 1002.0170124
1005.7674164
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1891
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: 9.9940E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9942E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9942E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9968E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.100
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.925
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.480
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.763
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.332
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.06
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 10.20
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.76
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.33
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 14.67
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 14.82
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 15.84
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 16.67
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 17.85
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.34
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.97
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.31
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 19.76
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.80
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.52
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.68
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 25.19
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 26.40
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.81
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 28.61
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.80
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 29.83
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 30.45
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.74
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 31.87
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.43
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 33.87
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 35.29
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 36.04
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.72
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.79
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 38.44
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 39.27
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 39.72
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 40.13
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.78
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.19
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 43.25
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.69
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 44.28
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 45.35
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.82
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 46.45
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 47.78
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 48.25
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 49.58
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 50.88
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 51.79
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 52.41
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 53.26
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 54.76
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 55.45
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 55.83
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 56.43
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.69
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 57.89
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 58.02
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.71
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.62
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.52
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.72
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 61.62
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 62.53
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 64.00
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 64.11
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 65.39
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 65.84
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 66.85
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 67.87
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 68.71
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 69.37
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 70.42
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 71.07
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 72.08
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 72.55
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 73.46
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 73.63
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 75.45
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 76.25
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 76.93
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 77.73
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 78.38
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 78.73
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 80.76
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 81.37
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 81.46
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 82.05
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 82.33
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 84.02
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 84.65
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 85.15
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 85.78
Rtb_to_modes> 106 vectors, with 714 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 0.99999 1.00000 1.00003
0.99997 1.00005 0.99999 1.00000 0.99999
1.00004 1.00000 1.00000 1.00005 1.00001
0.99999 1.00002 0.99998 1.00000 1.00000
1.00000 1.00002 1.00002 0.99997 1.00000
1.00000 1.00000 0.99999 1.00001 1.00002
0.99997 1.00002 1.00001 0.99999 1.00000
0.99999 0.99998 0.99999 0.99999 0.99997
1.00003 1.00000 1.00003 1.00003 1.00000
0.99999 0.99998 0.99998 1.00000 0.99999
0.99999 0.99999 1.00000 0.99998 1.00000
1.00001 1.00005 1.00000 1.00000 1.00002
0.99999 0.99999 1.00002 1.00000 1.00000
1.00000 0.99997 0.99998 0.99997 1.00004
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 0.99998 1.00000 1.00000 1.00000
0.99999 1.00005 1.00001 1.00002 0.99998
1.00002 0.99997 1.00000 1.00000 0.99999
0.99998 1.00001 0.99999 1.00001 1.00000
1.00002 1.00003 1.00002 1.00000 0.99999
0.99998 0.99999 1.00001 1.00003 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 34038 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 0.99999 1.00000 1.00003
0.99997 1.00005 0.99999 1.00000 0.99999
1.00004 1.00000 1.00000 1.00005 1.00001
0.99999 1.00002 0.99998 1.00000 1.00000
1.00000 1.00002 1.00002 0.99997 1.00000
1.00000 1.00000 0.99999 1.00001 1.00002
0.99997 1.00002 1.00001 0.99999 1.00000
0.99999 0.99998 0.99999 0.99999 0.99997
1.00003 1.00000 1.00003 1.00003 1.00000
0.99999 0.99998 0.99998 1.00000 0.99999
0.99999 0.99999 1.00000 0.99998 1.00000
1.00001 1.00005 1.00000 1.00000 1.00002
0.99999 0.99999 1.00002 1.00000 1.00000
1.00000 0.99997 0.99998 0.99997 1.00004
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 0.99998 1.00000 1.00000 1.00000
0.99999 1.00005 1.00001 1.00002 0.99998
1.00002 0.99997 1.00000 1.00000 0.99999
0.99998 1.00001 0.99999 1.00001 1.00000
1.00002 1.00003 1.00002 1.00000 0.99999
0.99998 0.99999 1.00001 1.00003 1.00000
0.99998
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> 2602071232343282027.eigenfacs
Openam> file on opening on unit 10:
2602071232343282027.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602071232343282027.atom
Openam> file on opening on unit 11:
2602071232343282027.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 = 1891
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: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9968E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 14.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 17.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 25.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 26.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 28.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 29.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 30.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 31.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 33.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 35.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 36.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 38.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 39.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 39.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 40.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 43.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 44.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 45.35
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: 46.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 47.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 48.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 49.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 50.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 51.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 52.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 53.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 54.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 55.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 55.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 56.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 57.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 58.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 61.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 62.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 64.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 64.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 65.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 65.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 66.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 67.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 68.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 69.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 70.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 71.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 72.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 72.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 73.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 73.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 75.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 76.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 76.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 77.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 78.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 78.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 80.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 81.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 81.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 82.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 82.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 84.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 84.65
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: 85.78
Bfactors> 106 vectors, 5673 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 : 5.100000
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= -0.615 for 238 C-alpha atoms.
Bfactors> = 0.021 +/- 0.02
Bfactors> = 97.739 +/- 3.22
Bfactors> Shiftng-fct= 97.718
Bfactors> Scaling-fct= 140.188
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602071232343282027.eigenfacs
Openam> file on opening on unit 10:
2602071232343282027.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-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: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 245.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 264.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 276.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 302.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 331.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 344.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 346.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 372.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 381.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 398.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 415.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 418.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 432.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 443.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 458.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 465.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 472.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 477.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 482.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 495.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 503.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 518.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 528.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 545.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 557.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 562.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 566.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 580.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 582.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 593.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 599.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 611.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 613.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 627.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 632.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 645.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 651.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 658.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 667.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 673.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 680.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 684.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 687.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 701.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 705.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 714.1
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: 722.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 731.2
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: 740.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 750.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 754.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 764.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 774.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 781.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 786.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 792.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 803.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 808.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 811.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 815.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 817.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 826.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 827.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 832.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 838.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 844.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 846.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 852.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 858.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 868.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 869.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 878.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 881.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 887.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 894.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 900.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 904.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 911.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 915.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 921.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 924.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 930.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 931.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 943.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 948.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 952.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 957.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 961.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 963.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 975.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 979.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 980.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 983.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 985.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 995.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 999.1
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: 1006.
Chkmod> 106 vectors, 5673 coordinates in file.
Chkmod> That is: 1891 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 7 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7299
0.0034 0.9900
0.0034 0.7902
0.0034 0.9690
0.0034 0.7466
0.0034 0.7374
245.2233 0.4183
264.3144 0.3651
276.4166 0.0188
302.5460 0.1723
331.7142 0.2686
344.4099 0.3537
346.7981 0.1349
372.3748 0.0951
381.2924 0.3096
398.0854 0.1949
415.9027 0.3013
418.0235 0.2280
432.1696 0.2218
443.3477 0.5774
458.7708 0.1033
465.0250 0.4199
472.9446 0.3617
477.1641 0.4962
482.6920 0.2613
495.2315 0.5719
503.7299 0.3983
518.7217 0.3058
528.4057 0.2388
544.9927 0.3448
557.9286 0.0779
562.2443 0.3079
566.9432 0.2882
580.8120 0.5412
582.7374 0.3767
593.0663 0.3746
599.1979 0.5968
611.7586 0.4535
613.0102 0.3348
627.8340 0.3145
631.9522 0.3051
645.0635 0.2555
651.8821 0.4430
658.0032 0.1415
667.5212 0.3772
673.2375 0.5313
680.4670 0.3007
684.3547 0.3781
687.8777 0.3328
701.8767 0.3735
705.3122 0.3071
714.1175 0.4197
717.7408 0.3866
722.5709 0.4683
731.2490 0.4686
735.0285 0.3794
740.0644 0.3808
750.5847 0.2954
754.2673 0.2789
764.5923 0.4218
774.5513 0.4517
781.4471 0.3459
786.1107 0.4036
792.4598 0.3504
803.5416 0.3782
808.5882 0.4680
811.3541 0.2202
815.7023 0.4502
817.5793 0.3278
826.1871 0.3235
827.1142 0.3536
832.0179 0.4055
838.4412 0.2774
844.7459 0.4701
846.1406 0.4236
852.3883 0.2928
858.6592 0.3919
868.6936 0.5288
869.4398 0.3200
878.0764 0.4401
881.0926 0.4222
887.8249 0.3458
894.5725 0.4600
900.0914 0.4377
904.4040 0.4670
911.2229 0.3983
915.4187 0.2963
921.9004 0.4657
924.9012 0.3411
930.6837 0.4085
931.7599 0.4340
943.2054 0.4301
948.1926 0.4657
952.4112 0.5926
957.3505 0.3875
961.3450 0.4014
963.4890 0.4211
975.8314 0.3675
979.5098 0.3690
980.0514 0.4974
983.5941 0.2807
985.2710 0.3696
995.3320 0.3980
999.0567 0.4398
1002.0029 0.3575
1005.7028 0.3448
getting mode 7
running: ../../bin/get_modes.sh 2602071232343282027 7 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.7.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 2602071232343282027.7.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 2602071232343282027.7.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 2602071232343282027 8 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.8.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 2602071232343282027.8.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 2602071232343282027.8.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 2602071232343282027 9 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.9.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 2602071232343282027.9.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 2602071232343282027.9.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 2602071232343282027 10 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.10.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 2602071232343282027.10.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 2602071232343282027.10.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 2602071232343282027 11 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.11.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 2602071232343282027.11.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 2602071232343282027.11.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 2602071232343282027 12 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.12.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 2602071232343282027.12.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 2602071232343282027.12.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 2602071232343282027 13 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.13.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 2602071232343282027.13.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 2602071232343282027.13.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 2602071232343282027 14 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.14.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 2602071232343282027.14.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 2602071232343282027.14.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 2602071232343282027 15 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.15.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 2602071232343282027.15.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 2602071232343282027.15.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 2602071232343282027 16 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.16.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 2602071232343282027.16.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 2602071232343282027.16.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 2602071232343282027 17 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.17.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 2602071232343282027.17.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 2602071232343282027.17.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 2602071232343282027 18 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.18.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 2602071232343282027.18.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 2602071232343282027.18.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 2602071232343282027 19 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.19.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 2602071232343282027.19.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 2602071232343282027.19.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 2602071232343282027 20 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.20.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 2602071232343282027.20.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 2602071232343282027.20.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 2602071232343282027 21 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.21.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 2602071232343282027.21.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 2602071232343282027.21.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 2602071232343282027 22 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.22.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 2602071232343282027.22.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 2602071232343282027.22.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 2602071232343282027 23 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.23.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 2602071232343282027.23.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 2602071232343282027.23.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 2602071232343282027 24 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.24.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 2602071232343282027.24.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 2602071232343282027.24.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 2602071232343282027 25 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.25.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 2602071232343282027.25.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 2602071232343282027.25.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 2602071232343282027 26 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.26.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 2602071232343282027.26.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 2602071232343282027.26.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 2602071232343282027 27 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.27.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 2602071232343282027.27.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 2602071232343282027.27.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 2602071232343282027 28 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.28.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 2602071232343282027.28.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 2602071232343282027.28.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 2602071232343282027 29 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.29.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 2602071232343282027.29.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 2602071232343282027.29.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 2602071232343282027 30 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.30.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 2602071232343282027.30.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 2602071232343282027.30.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 2602071232343282027 31 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=-50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=0
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=50
2602071232343282027.eigenfacs
2602071232343282027.atom
calculating perturbed structure for DQ=100
2602071232343282027.eigenfacs
2602071232343282027.atom
making animated gifs
5 models are in 2602071232343282027.31.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 2602071232343282027.31.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 2602071232343282027.31.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
2602071232343282027.10.pdb
2602071232343282027.11.pdb
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2602071232343282027.19.pdb
2602071232343282027.20.pdb
2602071232343282027.21.pdb
2602071232343282027.22.pdb
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2602071232343282027.24.pdb
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2602071232343282027.26.pdb
2602071232343282027.27.pdb
2602071232343282027.28.pdb
2602071232343282027.29.pdb
2602071232343282027.30.pdb
2602071232343282027.31.pdb
2602071232343282027.7.pdb
2602071232343282027.8.pdb
2602071232343282027.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.662s
user 0m6.596s
sys 0m0.062s
rm: cannot remove '2602071232343282027.sdijf': No such file or directory
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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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