*** VIRAL PROTEIN 22-JUN-15 5C69 ***
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 = 2402291140011058810.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 2402291140011058810.atom to be opened.
Openam> File opened: 2402291140011058810.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 = 447
First residue number = 27
Last residue number = 479
Number of atoms found = 3459
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 14.942028 +/- 19.711651 From: -35.151000 To: 47.334000
= 5.171519 +/- 10.413970 From: -24.391000 To: 34.092000
= -1.468869 +/- 19.740659 From: -37.252000 To: 43.469000
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 2.3744 % Filled.
Pdbmat> 1278512 non-zero elements.
Pdbmat> 139777 atom-atom interactions.
Pdbmat> Number per atom= 80.82 +/- 22.97
Maximum number = 133
Minimum number = 14
Pdbmat> Matrix trace = 2.795540E+06
Pdbmat> Larger element = 510.030
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
447 non-zero elements, NRBL set to 3
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 = 2402291140011058810.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2402291140011058810.atom to be opened.
Openam> file on opening on unit 11:
2402291140011058810.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3459 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 447 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 24
Blocpdb> 27 atoms in block 3
Block first atom: 53
Blocpdb> 19 atoms in block 4
Block first atom: 80
Blocpdb> 18 atoms in block 5
Block first atom: 99
Blocpdb> 25 atoms in block 6
Block first atom: 117
Blocpdb> 19 atoms in block 7
Block first atom: 142
Blocpdb> 26 atoms in block 8
Block first atom: 161
Blocpdb> 30 atoms in block 9
Block first atom: 187
Blocpdb> 20 atoms in block 10
Block first atom: 217
Blocpdb> 23 atoms in block 11
Block first atom: 237
Blocpdb> 23 atoms in block 12
Block first atom: 260
Blocpdb> 25 atoms in block 13
Block first atom: 283
Blocpdb> 26 atoms in block 14
Block first atom: 308
Blocpdb> 18 atoms in block 15
Block first atom: 334
Blocpdb> 20 atoms in block 16
Block first atom: 352
Blocpdb> 25 atoms in block 17
Block first atom: 372
Blocpdb> 25 atoms in block 18
Block first atom: 397
Blocpdb> 26 atoms in block 19
Block first atom: 422
Blocpdb> 29 atoms in block 20
Block first atom: 448
Blocpdb> 22 atoms in block 21
Block first atom: 477
Blocpdb> 23 atoms in block 22
Block first atom: 499
Blocpdb> 25 atoms in block 23
Block first atom: 522
Blocpdb> 25 atoms in block 24
Block first atom: 547
Blocpdb> 20 atoms in block 25
Block first atom: 572
Blocpdb> 12 atoms in block 26
Block first atom: 592
Blocpdb> 23 atoms in block 27
Block first atom: 604
Blocpdb> 27 atoms in block 28
Block first atom: 627
Blocpdb> 15 atoms in block 29
Block first atom: 654
Blocpdb> 19 atoms in block 30
Block first atom: 669
Blocpdb> 15 atoms in block 31
Block first atom: 688
Blocpdb> 19 atoms in block 32
Block first atom: 703
Blocpdb> 22 atoms in block 33
Block first atom: 722
Blocpdb> 26 atoms in block 34
Block first atom: 744
Blocpdb> 22 atoms in block 35
Block first atom: 770
Blocpdb> 24 atoms in block 36
Block first atom: 792
Blocpdb> 23 atoms in block 37
Block first atom: 816
Blocpdb> 21 atoms in block 38
Block first atom: 839
Blocpdb> 21 atoms in block 39
Block first atom: 860
Blocpdb> 21 atoms in block 40
Block first atom: 881
Blocpdb> 21 atoms in block 41
Block first atom: 902
Blocpdb> 18 atoms in block 42
Block first atom: 923
Blocpdb> 20 atoms in block 43
Block first atom: 941
Blocpdb> 21 atoms in block 44
Block first atom: 961
Blocpdb> 24 atoms in block 45
Block first atom: 982
Blocpdb> 25 atoms in block 46
Block first atom: 1006
Blocpdb> 28 atoms in block 47
Block first atom: 1031
Blocpdb> 26 atoms in block 48
Block first atom: 1059
Blocpdb> 23 atoms in block 49
Block first atom: 1085
Blocpdb> 23 atoms in block 50
Block first atom: 1108
Blocpdb> 24 atoms in block 51
Block first atom: 1131
Blocpdb> 20 atoms in block 52
Block first atom: 1155
Blocpdb> 23 atoms in block 53
Block first atom: 1175
Blocpdb> 23 atoms in block 54
Block first atom: 1198
Blocpdb> 28 atoms in block 55
Block first atom: 1221
Blocpdb> 27 atoms in block 56
Block first atom: 1249
Blocpdb> 27 atoms in block 57
Block first atom: 1276
Blocpdb> 25 atoms in block 58
Block first atom: 1303
Blocpdb> 26 atoms in block 59
Block first atom: 1328
Blocpdb> 26 atoms in block 60
Block first atom: 1354
Blocpdb> 20 atoms in block 61
Block first atom: 1380
Blocpdb> 18 atoms in block 62
Block first atom: 1400
Blocpdb> 21 atoms in block 63
Block first atom: 1418
Blocpdb> 25 atoms in block 64
Block first atom: 1439
Blocpdb> 23 atoms in block 65
Block first atom: 1464
Blocpdb> 23 atoms in block 66
Block first atom: 1487
Blocpdb> 22 atoms in block 67
Block first atom: 1510
Blocpdb> 24 atoms in block 68
Block first atom: 1532
Blocpdb> 23 atoms in block 69
Block first atom: 1556
Blocpdb> 23 atoms in block 70
Block first atom: 1579
Blocpdb> 26 atoms in block 71
Block first atom: 1602
Blocpdb> 25 atoms in block 72
Block first atom: 1628
Blocpdb> 22 atoms in block 73
Block first atom: 1653
Blocpdb> 24 atoms in block 74
Block first atom: 1675
Blocpdb> 27 atoms in block 75
Block first atom: 1699
Blocpdb> 27 atoms in block 76
Block first atom: 1726
Blocpdb> 22 atoms in block 77
Block first atom: 1753
Blocpdb> 22 atoms in block 78
Block first atom: 1775
Blocpdb> 27 atoms in block 79
Block first atom: 1797
Blocpdb> 20 atoms in block 80
Block first atom: 1824
Blocpdb> 26 atoms in block 81
Block first atom: 1844
Blocpdb> 24 atoms in block 82
Block first atom: 1870
Blocpdb> 24 atoms in block 83
Block first atom: 1894
Blocpdb> 23 atoms in block 84
Block first atom: 1918
Blocpdb> 20 atoms in block 85
Block first atom: 1941
Blocpdb> 31 atoms in block 86
Block first atom: 1961
Blocpdb> 23 atoms in block 87
Block first atom: 1992
Blocpdb> 21 atoms in block 88
Block first atom: 2015
Blocpdb> 22 atoms in block 89
Block first atom: 2036
Blocpdb> 25 atoms in block 90
Block first atom: 2058
Blocpdb> 18 atoms in block 91
Block first atom: 2083
Blocpdb> 22 atoms in block 92
Block first atom: 2101
Blocpdb> 25 atoms in block 93
Block first atom: 2123
Blocpdb> 23 atoms in block 94
Block first atom: 2148
Blocpdb> 32 atoms in block 95
Block first atom: 2171
Blocpdb> 21 atoms in block 96
Block first atom: 2203
Blocpdb> 17 atoms in block 97
Block first atom: 2224
Blocpdb> 28 atoms in block 98
Block first atom: 2241
Blocpdb> 30 atoms in block 99
Block first atom: 2269
Blocpdb> 22 atoms in block 100
Block first atom: 2299
Blocpdb> 25 atoms in block 101
Block first atom: 2321
Blocpdb> 25 atoms in block 102
Block first atom: 2346
Blocpdb> 24 atoms in block 103
Block first atom: 2371
Blocpdb> 23 atoms in block 104
Block first atom: 2395
Blocpdb> 22 atoms in block 105
Block first atom: 2418
Blocpdb> 22 atoms in block 106
Block first atom: 2440
Blocpdb> 22 atoms in block 107
Block first atom: 2462
Blocpdb> 22 atoms in block 108
Block first atom: 2484
Blocpdb> 23 atoms in block 109
Block first atom: 2506
Blocpdb> 27 atoms in block 110
Block first atom: 2529
Blocpdb> 28 atoms in block 111
Block first atom: 2556
Blocpdb> 23 atoms in block 112
Block first atom: 2584
Blocpdb> 23 atoms in block 113
Block first atom: 2607
Blocpdb> 22 atoms in block 114
Block first atom: 2630
Blocpdb> 21 atoms in block 115
Block first atom: 2652
Blocpdb> 19 atoms in block 116
Block first atom: 2673
Blocpdb> 21 atoms in block 117
Block first atom: 2692
Blocpdb> 17 atoms in block 118
Block first atom: 2713
Blocpdb> 21 atoms in block 119
Block first atom: 2730
Blocpdb> 22 atoms in block 120
Block first atom: 2751
Blocpdb> 25 atoms in block 121
Block first atom: 2773
Blocpdb> 18 atoms in block 122
Block first atom: 2798
Blocpdb> 23 atoms in block 123
Block first atom: 2816
Blocpdb> 23 atoms in block 124
Block first atom: 2839
Blocpdb> 25 atoms in block 125
Block first atom: 2862
Blocpdb> 24 atoms in block 126
Block first atom: 2887
Blocpdb> 18 atoms in block 127
Block first atom: 2911
Blocpdb> 27 atoms in block 128
Block first atom: 2929
Blocpdb> 23 atoms in block 129
Block first atom: 2956
Blocpdb> 19 atoms in block 130
Block first atom: 2979
Blocpdb> 20 atoms in block 131
Block first atom: 2998
Blocpdb> 19 atoms in block 132
Block first atom: 3018
Blocpdb> 27 atoms in block 133
Block first atom: 3037
Blocpdb> 27 atoms in block 134
Block first atom: 3064
Blocpdb> 27 atoms in block 135
Block first atom: 3091
Blocpdb> 19 atoms in block 136
Block first atom: 3118
Blocpdb> 27 atoms in block 137
Block first atom: 3137
Blocpdb> 22 atoms in block 138
Block first atom: 3164
Blocpdb> 23 atoms in block 139
Block first atom: 3186
Blocpdb> 31 atoms in block 140
Block first atom: 3209
Blocpdb> 23 atoms in block 141
Block first atom: 3240
Blocpdb> 25 atoms in block 142
Block first atom: 3263
Blocpdb> 23 atoms in block 143
Block first atom: 3288
Blocpdb> 24 atoms in block 144
Block first atom: 3311
Blocpdb> 20 atoms in block 145
Block first atom: 3335
Blocpdb> 24 atoms in block 146
Block first atom: 3355
Blocpdb> 26 atoms in block 147
Block first atom: 3379
Blocpdb> 23 atoms in block 148
Block first atom: 3405
Blocpdb> 24 atoms in block 149
Block first atom: 3428
Blocpdb> 8 atoms in block 150
Block first atom: 3451
Blocpdb> 150 blocks.
Blocpdb> At most, 32 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> 1278662 matrix lines read.
Prepmat> Matrix order = 10377
Prepmat> Matrix trace = 2795540.0000
Prepmat> Last element read: 10377 10377 192.5543
Prepmat> 11326 lines saved.
Prepmat> 9917 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: 3459
RTB> Total mass = 3459.0000
RTB> Number of atoms found in matrix: 3459
RTB> Number of blocks = 150
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 189173.0931
RTB> 48438 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 = 900
Diagstd> Nb of non-zero elements: 48438
Diagstd> Projected matrix trace = 189173.0931
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 900 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 189173.0931
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.2116102 0.3136778 0.6984012 1.4463221
1.9112906 2.4599852 3.2895103 3.8309392 4.4478667
5.1735244 5.6756272 6.6741835 7.6198410 7.9522617
9.2106071 9.3184938 11.7269746 12.1690594 12.5367014
13.1858443 13.4389291 14.1102246 15.6548993 15.9913609
16.6687354 16.8757774 18.2679420 18.4119978 19.2110967
20.4114620 21.3705134 22.7797914 23.8167238 24.1225018
24.7211400 25.1886449 25.3835431 25.9407884 26.3765177
26.9381687 27.9851309 28.8090916 29.3791653 29.9892309
30.6141367 31.2702537 31.5935273 32.3382963 32.5647600
33.5285074 33.6137947 34.1261951 34.4302237 35.5332167
36.5087382 37.6443749 38.1418653 38.5390063 39.4905223
39.6601574 40.5905512 40.7187604 41.1221922 41.5733671
41.8727505 42.6615470 43.5926496 44.1068563 44.4135173
45.9596972 46.1433016 46.6267575 47.3963745 47.7691881
47.9885018 49.1210434 49.7351639 50.6497242 51.2873847
51.6147944 51.8698109 52.1543694 53.1121840 53.4887654
53.8575472 54.4026016 54.8596110 54.9913817 55.5116233
56.5825811 56.7809272 56.9871818 58.1070243 58.3223310
58.5163088 59.3805336 59.8114640 60.1545555 60.5257393
60.8425997
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034338 0.0034340 0.0034343 0.0034344
0.0034346 49.9532302 60.8187069 90.7502381 130.5953743
150.1269425 170.3183821 196.9522327 212.5435402 229.0188154
246.9952101 258.7034445 280.5397156 299.7562413 306.2249782
329.5637300 331.4882514 371.8675421 378.8120499 384.4916569
394.3204049 398.0866479 407.9080189 429.6555432 434.2481655
443.3498917 446.0948139 464.1304823 465.9568893 475.9609899
490.6054137 501.9988917 518.2868038 529.9517010 533.3428209
539.9201399 545.0014813 547.1059040 553.0786141 557.7043209
563.6108099 574.4588855 582.8543778 588.5928828 594.6726213
600.8364741 607.2408542 610.3716286 617.5240099 619.6824849
628.7853153 629.5845357 634.3650017 637.1844995 647.3103375
656.1357360 666.2624308 670.6504867 674.1329214 682.4042440
683.8683380 691.8433240 692.9350902 696.3593477 700.1690027
702.6855539 709.2732491 716.9715345 721.1877360 723.6904881
736.1797373 737.6487535 741.5029578 747.5975015 750.5319940
752.2529092 761.0778312 765.8206226 772.8297335 777.6793317
780.1576674 782.0825804 784.2249038 791.3932843 794.1939370
796.9270455 800.9494630 804.3066176 805.2719953 809.0721347
816.8393621 818.2697950 819.7546150 827.7698384 829.3020077
830.6799765 836.7916316 839.8224820 842.2277400 844.8222271
847.0307202
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3459
Rtb_to_modes> Number of blocs = 150
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: 9.9946E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2116
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3137
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.6984
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.446
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.911
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.460
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.290
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.831
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.448
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.174
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.676
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.674
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.620
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.952
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.211
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.318
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 11.73
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.17
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.54
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.11
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.65
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 15.99
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 16.67
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.88
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 18.27
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 18.41
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 19.21
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 20.41
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 21.37
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.78
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.82
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 24.12
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.72
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.19
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.38
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 25.94
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.38
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 26.94
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 27.99
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 28.81
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 29.38
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 29.99
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 30.61
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 31.27
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.59
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 32.34
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 32.56
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 33.53
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 33.61
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 34.13
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 34.43
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 35.53
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 36.51
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 37.64
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.14
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 38.54
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 39.49
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 39.66
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.59
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 40.72
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 41.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 41.57
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 41.87
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 42.66
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 43.59
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 44.11
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 44.41
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 45.96
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.14
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 46.63
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 47.40
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 47.77
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 47.99
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 49.12
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.74
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.65
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 51.29
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 51.61
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.87
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 52.15
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.11
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 53.49
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 53.86
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 54.40
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 54.86
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 54.99
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 55.51
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 56.58
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 56.78
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 56.99
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 58.11
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.32
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 58.52
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 59.38
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.81
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 60.15
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 60.53
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 60.84
Rtb_to_modes> 106 vectors, with 900 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00001 1.00000 0.99999
1.00002 1.00000 1.00000 1.00000 1.00000
1.00003 1.00000 1.00000 1.00002 1.00003
0.99998 0.99999 0.99998 0.99999 0.99998
1.00000 1.00000 1.00002 1.00001 0.99999
1.00001 0.99999 1.00000 1.00004 1.00001
0.99997 1.00000 0.99999 1.00003 0.99999
0.99998 1.00003 0.99998 0.99998 1.00003
1.00002 1.00001 1.00002 0.99999 0.99999
0.99999 1.00000 1.00001 1.00000 1.00000
1.00001 1.00001 1.00002 1.00000 0.99997
1.00003 1.00001 0.99998 1.00000 1.00000
0.99999 1.00003 1.00000 0.99997 1.00000
0.99999 0.99999 1.00000 1.00001 1.00000
1.00001 1.00002 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 1.00001 0.99999
0.99999 0.99999 1.00002 1.00000 0.99997
1.00003 1.00001 0.99997 0.99999 1.00001
0.99999 1.00000 1.00001 1.00000 0.99997
0.99999 1.00001 0.99998 1.00000 1.00000
1.00002 0.99999 0.99999 1.00003 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 62262 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00001 1.00000 0.99999
1.00002 1.00000 1.00000 1.00000 1.00000
1.00003 1.00000 1.00000 1.00002 1.00003
0.99998 0.99999 0.99998 0.99999 0.99998
1.00000 1.00000 1.00002 1.00001 0.99999
1.00001 0.99999 1.00000 1.00004 1.00001
0.99997 1.00000 0.99999 1.00003 0.99999
0.99998 1.00003 0.99998 0.99998 1.00003
1.00002 1.00001 1.00002 0.99999 0.99999
0.99999 1.00000 1.00001 1.00000 1.00000
1.00001 1.00001 1.00002 1.00000 0.99997
1.00003 1.00001 0.99998 1.00000 1.00000
0.99999 1.00003 1.00000 0.99997 1.00000
0.99999 0.99999 1.00000 1.00001 1.00000
1.00001 1.00002 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 1.00001 0.99999
0.99999 0.99999 1.00002 1.00000 0.99997
1.00003 1.00001 0.99997 0.99999 1.00001
0.99999 1.00000 1.00001 1.00000 0.99997
0.99999 1.00001 0.99998 1.00000 1.00000
1.00002 0.99999 0.99999 1.00003 0.99999
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4:-0.000-0.000 0.000
Vector 5:-0.000 0.000-0.000 0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7: 0.000 0.000-0.000 0.000-0.000 0.000
Vector 8:-0.000-0.000-0.000-0.000-0.000 0.000 0.000
Vector 9:-0.000-0.000-0.000 0.000-0.000-0.000 0.000-0.000
Vector 10:-0.000-0.000-0.000-0.000 0.000 0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402291140011058810.eigenfacs
Openam> file on opening on unit 10:
2402291140011058810.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402291140011058810.atom
Openam> file on opening on unit 11:
2402291140011058810.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 = 447
First residue number = 27
Last residue number = 479
Number of atoms found = 3459
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9946E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.448
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 11.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 16.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 18.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 18.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 24.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 25.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 26.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 27.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 28.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 29.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 29.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 30.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 31.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 32.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 32.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 33.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 33.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 34.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 34.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 35.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 36.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 37.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 38.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 39.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 39.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 40.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 41.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 41.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 41.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 42.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 43.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 44.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 44.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 45.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 46.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 47.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 47.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 47.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 49.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 51.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 51.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 52.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 53.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 53.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 54.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 54.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 54.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 55.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 56.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 56.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 56.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 58.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 58.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 59.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 60.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 60.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 60.84
Bfactors> 106 vectors, 10377 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.211600
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= 0.535 for 448 C-alpha atoms.
Bfactors> = 0.067 +/- 0.06
Bfactors> = 54.909 +/- 24.37
Bfactors> Shiftng-fct= 54.842
Bfactors> Scaling-fct= 418.251
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402291140011058810 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=0
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=100
2402291140011058810.eigenfacs
2402291140011058810.atom
making animated gifs
11 models are in 2402291140011058810.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2402291140011058810 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=0
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=100
2402291140011058810.eigenfacs
2402291140011058810.atom
making animated gifs
11 models are in 2402291140011058810.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2402291140011058810 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=0
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=100
2402291140011058810.eigenfacs
2402291140011058810.atom
making animated gifs
11 models are in 2402291140011058810.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2402291140011058810 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=0
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=100
2402291140011058810.eigenfacs
2402291140011058810.atom
making animated gifs
11 models are in 2402291140011058810.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2402291140011058810 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=-20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=0
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=20
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=40
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=60
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=80
2402291140011058810.eigenfacs
2402291140011058810.atom
calculating perturbed structure for DQ=100
2402291140011058810.eigenfacs
2402291140011058810.atom
making animated gifs
11 models are in 2402291140011058810.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402291140011058810.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2402291140011058810.10.pdb
2402291140011058810.11.pdb
2402291140011058810.7.pdb
2402291140011058810.8.pdb
2402291140011058810.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m14.584s
user 0m14.538s
sys 0m0.044s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402291140011058810.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
