*** ***
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 = 2404111208553625666.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 2404111208553625666.atom to be opened.
Openam> File opened: 2404111208553625666.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 = 1222
First residue number = 1
Last residue number = 613
Number of atoms found = 9784
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 71.459060 +/- 28.863438 From: 8.479000 To: 133.949000
= 47.202261 +/- 16.642823 From: 6.095000 To: 84.442000
= 40.594625 +/- 11.604414 From: 11.866000 To: 70.680000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> residue:'BES ' is not a well known amino-acid.
%Pdbmat-W> residue:'BES ' is not a well known amino-acid.
%Pdbmat-W> 4 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.8688 % Filled.
Pdbmat> 3742669 non-zero elements.
Pdbmat> 409395 atom-atom interactions.
Pdbmat> Number per atom= 83.69 +/- 21.07
Maximum number = 128
Minimum number = 13
Pdbmat> Matrix trace = 8.187900E+06
Pdbmat> Larger element = 505.977
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1222 non-zero elements, NRBL set to 7
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 = 2404111208553625666.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2404111208553625666.atom to be opened.
Openam> file on opening on unit 11:
2404111208553625666.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9784 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1222 residues.
Blocpdb> 51 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 52
Blocpdb> 62 atoms in block 3
Block first atom: 107
Blocpdb> 57 atoms in block 4
Block first atom: 169
Blocpdb> 47 atoms in block 5
Block first atom: 226
Blocpdb> 53 atoms in block 6
Block first atom: 273
Blocpdb> 50 atoms in block 7
Block first atom: 326
Blocpdb> 56 atoms in block 8
Block first atom: 376
Blocpdb> 52 atoms in block 9
Block first atom: 432
Blocpdb> 52 atoms in block 10
Block first atom: 484
Blocpdb> 47 atoms in block 11
Block first atom: 536
Blocpdb> 55 atoms in block 12
Block first atom: 583
Blocpdb> 55 atoms in block 13
Block first atom: 638
Blocpdb> 55 atoms in block 14
Block first atom: 693
Blocpdb> 52 atoms in block 15
Block first atom: 748
Blocpdb> 47 atoms in block 16
Block first atom: 800
Blocpdb> 66 atoms in block 17
Block first atom: 847
Blocpdb> 50 atoms in block 18
Block first atom: 913
Blocpdb> 61 atoms in block 19
Block first atom: 963
Blocpdb> 53 atoms in block 20
Block first atom: 1024
Blocpdb> 52 atoms in block 21
Block first atom: 1077
Blocpdb> 64 atoms in block 22
Block first atom: 1129
Blocpdb> 51 atoms in block 23
Block first atom: 1193
Blocpdb> 52 atoms in block 24
Block first atom: 1244
Blocpdb> 53 atoms in block 25
Block first atom: 1296
Blocpdb> 52 atoms in block 26
Block first atom: 1349
Blocpdb> 71 atoms in block 27
Block first atom: 1401
Blocpdb> 52 atoms in block 28
Block first atom: 1472
Blocpdb> 55 atoms in block 29
Block first atom: 1524
Blocpdb> 50 atoms in block 30
Block first atom: 1579
Blocpdb> 51 atoms in block 31
Block first atom: 1629
Blocpdb> 64 atoms in block 32
Block first atom: 1680
Blocpdb> 61 atoms in block 33
Block first atom: 1744
Blocpdb> 55 atoms in block 34
Block first atom: 1805
Blocpdb> 56 atoms in block 35
Block first atom: 1860
Blocpdb> 57 atoms in block 36
Block first atom: 1916
Blocpdb> 59 atoms in block 37
Block first atom: 1973
Blocpdb> 51 atoms in block 38
Block first atom: 2032
Blocpdb> 53 atoms in block 39
Block first atom: 2083
Blocpdb> 54 atoms in block 40
Block first atom: 2136
Blocpdb> 47 atoms in block 41
Block first atom: 2190
Blocpdb> 53 atoms in block 42
Block first atom: 2237
Blocpdb> 55 atoms in block 43
Block first atom: 2290
Blocpdb> 60 atoms in block 44
Block first atom: 2345
Blocpdb> 67 atoms in block 45
Block first atom: 2405
Blocpdb> 57 atoms in block 46
Block first atom: 2472
Blocpdb> 61 atoms in block 47
Block first atom: 2529
Blocpdb> 65 atoms in block 48
Block first atom: 2590
Blocpdb> 55 atoms in block 49
Block first atom: 2655
Blocpdb> 56 atoms in block 50
Block first atom: 2710
Blocpdb> 50 atoms in block 51
Block first atom: 2766
Blocpdb> 52 atoms in block 52
Block first atom: 2816
Blocpdb> 57 atoms in block 53
Block first atom: 2868
Blocpdb> 48 atoms in block 54
Block first atom: 2925
Blocpdb> 57 atoms in block 55
Block first atom: 2973
Blocpdb> 65 atoms in block 56
Block first atom: 3030
Blocpdb> 48 atoms in block 57
Block first atom: 3095
Blocpdb> 57 atoms in block 58
Block first atom: 3143
Blocpdb> 64 atoms in block 59
Block first atom: 3200
Blocpdb> 54 atoms in block 60
Block first atom: 3264
Blocpdb> 69 atoms in block 61
Block first atom: 3318
Blocpdb> 64 atoms in block 62
Block first atom: 3387
Blocpdb> 62 atoms in block 63
Block first atom: 3451
Blocpdb> 59 atoms in block 64
Block first atom: 3513
Blocpdb> 49 atoms in block 65
Block first atom: 3572
Blocpdb> 57 atoms in block 66
Block first atom: 3621
Blocpdb> 46 atoms in block 67
Block first atom: 3678
Blocpdb> 60 atoms in block 68
Block first atom: 3724
Blocpdb> 52 atoms in block 69
Block first atom: 3784
Blocpdb> 51 atoms in block 70
Block first atom: 3836
Blocpdb> 55 atoms in block 71
Block first atom: 3887
Blocpdb> 53 atoms in block 72
Block first atom: 3942
Blocpdb> 55 atoms in block 73
Block first atom: 3995
Blocpdb> 60 atoms in block 74
Block first atom: 4050
Blocpdb> 60 atoms in block 75
Block first atom: 4110
Blocpdb> 58 atoms in block 76
Block first atom: 4170
Blocpdb> 69 atoms in block 77
Block first atom: 4228
Blocpdb> 59 atoms in block 78
Block first atom: 4297
Blocpdb> 48 atoms in block 79
Block first atom: 4356
Blocpdb> 53 atoms in block 80
Block first atom: 4404
Blocpdb> 61 atoms in block 81
Block first atom: 4457
Blocpdb> 70 atoms in block 82
Block first atom: 4518
Blocpdb> 59 atoms in block 83
Block first atom: 4588
Blocpdb> 58 atoms in block 84
Block first atom: 4647
Blocpdb> 60 atoms in block 85
Block first atom: 4705
Blocpdb> 53 atoms in block 86
Block first atom: 4765
Blocpdb> 52 atoms in block 87
Block first atom: 4818
%Blocpdb-Wn> 1 atoms in block 88 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 4870th, in residue A 610
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 52 atoms in block 88
Block first atom: 4870
Blocpdb> 55 atoms in block 89
Block first atom: 4922
Blocpdb> 62 atoms in block 90
Block first atom: 4977
Blocpdb> 57 atoms in block 91
Block first atom: 5039
Blocpdb> 47 atoms in block 92
Block first atom: 5096
Blocpdb> 53 atoms in block 93
Block first atom: 5143
Blocpdb> 50 atoms in block 94
Block first atom: 5196
Blocpdb> 56 atoms in block 95
Block first atom: 5246
Blocpdb> 52 atoms in block 96
Block first atom: 5302
Blocpdb> 52 atoms in block 97
Block first atom: 5354
Blocpdb> 47 atoms in block 98
Block first atom: 5406
Blocpdb> 55 atoms in block 99
Block first atom: 5453
Blocpdb> 55 atoms in block 100
Block first atom: 5508
Blocpdb> 55 atoms in block 101
Block first atom: 5563
Blocpdb> 52 atoms in block 102
Block first atom: 5618
Blocpdb> 47 atoms in block 103
Block first atom: 5670
Blocpdb> 66 atoms in block 104
Block first atom: 5717
Blocpdb> 50 atoms in block 105
Block first atom: 5783
Blocpdb> 61 atoms in block 106
Block first atom: 5833
Blocpdb> 53 atoms in block 107
Block first atom: 5894
Blocpdb> 52 atoms in block 108
Block first atom: 5947
Blocpdb> 64 atoms in block 109
Block first atom: 5999
Blocpdb> 51 atoms in block 110
Block first atom: 6063
Blocpdb> 52 atoms in block 111
Block first atom: 6114
Blocpdb> 53 atoms in block 112
Block first atom: 6166
Blocpdb> 52 atoms in block 113
Block first atom: 6219
Blocpdb> 71 atoms in block 114
Block first atom: 6271
Blocpdb> 52 atoms in block 115
Block first atom: 6342
Blocpdb> 55 atoms in block 116
Block first atom: 6394
Blocpdb> 50 atoms in block 117
Block first atom: 6449
Blocpdb> 51 atoms in block 118
Block first atom: 6499
Blocpdb> 64 atoms in block 119
Block first atom: 6550
Blocpdb> 61 atoms in block 120
Block first atom: 6614
Blocpdb> 55 atoms in block 121
Block first atom: 6675
Blocpdb> 56 atoms in block 122
Block first atom: 6730
Blocpdb> 57 atoms in block 123
Block first atom: 6786
Blocpdb> 59 atoms in block 124
Block first atom: 6843
Blocpdb> 51 atoms in block 125
Block first atom: 6902
Blocpdb> 53 atoms in block 126
Block first atom: 6953
Blocpdb> 54 atoms in block 127
Block first atom: 7006
Blocpdb> 47 atoms in block 128
Block first atom: 7060
Blocpdb> 53 atoms in block 129
Block first atom: 7107
Blocpdb> 55 atoms in block 130
Block first atom: 7160
Blocpdb> 60 atoms in block 131
Block first atom: 7215
Blocpdb> 67 atoms in block 132
Block first atom: 7275
Blocpdb> 57 atoms in block 133
Block first atom: 7342
Blocpdb> 61 atoms in block 134
Block first atom: 7399
Blocpdb> 65 atoms in block 135
Block first atom: 7460
Blocpdb> 55 atoms in block 136
Block first atom: 7525
Blocpdb> 56 atoms in block 137
Block first atom: 7580
Blocpdb> 50 atoms in block 138
Block first atom: 7636
Blocpdb> 52 atoms in block 139
Block first atom: 7686
Blocpdb> 57 atoms in block 140
Block first atom: 7738
Blocpdb> 48 atoms in block 141
Block first atom: 7795
Blocpdb> 57 atoms in block 142
Block first atom: 7843
Blocpdb> 65 atoms in block 143
Block first atom: 7900
Blocpdb> 48 atoms in block 144
Block first atom: 7965
Blocpdb> 57 atoms in block 145
Block first atom: 8013
Blocpdb> 64 atoms in block 146
Block first atom: 8070
Blocpdb> 54 atoms in block 147
Block first atom: 8134
Blocpdb> 69 atoms in block 148
Block first atom: 8188
Blocpdb> 64 atoms in block 149
Block first atom: 8257
Blocpdb> 62 atoms in block 150
Block first atom: 8321
Blocpdb> 59 atoms in block 151
Block first atom: 8383
Blocpdb> 49 atoms in block 152
Block first atom: 8442
Blocpdb> 57 atoms in block 153
Block first atom: 8491
Blocpdb> 46 atoms in block 154
Block first atom: 8548
Blocpdb> 60 atoms in block 155
Block first atom: 8594
Blocpdb> 52 atoms in block 156
Block first atom: 8654
Blocpdb> 51 atoms in block 157
Block first atom: 8706
Blocpdb> 55 atoms in block 158
Block first atom: 8757
Blocpdb> 53 atoms in block 159
Block first atom: 8812
Blocpdb> 55 atoms in block 160
Block first atom: 8865
Blocpdb> 60 atoms in block 161
Block first atom: 8920
Blocpdb> 60 atoms in block 162
Block first atom: 8980
Blocpdb> 58 atoms in block 163
Block first atom: 9040
Blocpdb> 69 atoms in block 164
Block first atom: 9098
Blocpdb> 59 atoms in block 165
Block first atom: 9167
Blocpdb> 48 atoms in block 166
Block first atom: 9226
Blocpdb> 53 atoms in block 167
Block first atom: 9274
Blocpdb> 61 atoms in block 168
Block first atom: 9327
Blocpdb> 70 atoms in block 169
Block first atom: 9388
Blocpdb> 59 atoms in block 170
Block first atom: 9458
Blocpdb> 58 atoms in block 171
Block first atom: 9517
Blocpdb> 60 atoms in block 172
Block first atom: 9575
Blocpdb> 53 atoms in block 173
Block first atom: 9635
Blocpdb> 52 atoms in block 174
Block first atom: 9688
Blocpdb> 45 atoms in block 175
Block first atom: 9739
Blocpdb> 175 blocks.
Blocpdb> At most, 71 atoms in each of them.
Blocpdb> At least, 45 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> 3742844 matrix lines read.
Prepmat> Matrix order = 29352
Prepmat> Matrix trace = 8187900.0000
Prepmat> Last element read: 29352 29352 282.8931
Prepmat> 15401 lines saved.
Prepmat> 13834 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: 9784
RTB> Total mass = 9784.0000
RTB> Number of atoms found in matrix: 9784
RTB> Number of blocks = 175
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 190804.6723
RTB> 53751 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 = 1050
Diagstd> Nb of non-zero elements: 53751
Diagstd> Projected matrix trace = 190804.6723
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1050 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 190804.6723
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 0.7440927 0.8446956 0.9964260 2.1411152
2.2388569 2.6325284 3.3357161 3.8628499 4.0186977
4.7474942 6.1630251 6.6089512 6.7555579 7.0486468
7.5348154 8.0048680 8.3343078 8.5970138 9.1880610
9.4507192 9.7531250 10.2536633 10.2780304 10.6663559
10.9191226 12.4042741 12.4463658 13.0489617 13.6762468
14.0152978 14.1671308 15.3666924 15.4641310 15.7971634
16.3581678 16.4095025 16.8833036 17.4246972 17.6935692
17.9567445 18.7351804 19.2121337 19.4320995 20.1662112
20.5813794 21.4324007 22.1126596 22.3664557 23.1967593
23.3414003 24.2244840 24.3882062 24.5987532 25.2247906
25.6893273 25.7737442 26.5428063 26.8785992 27.3594546
27.7371748 28.2213980 28.7483648 29.1126083 29.3399966
29.7526148 30.1338810 30.5102045 31.0831356 31.5184848
32.0883724 32.7725586 33.3403228 34.1930211 34.5866436
34.7187338 35.1365974 35.6370393 35.7465123 36.2671884
36.7945741 37.0295778 37.6802908 37.9784837 38.6041531
39.2646294 39.3630927 39.8640032 40.4690586 40.5959022
41.1736146 41.3285803 41.9655468 42.2667774 42.3979246
42.5747802 43.3302221 43.5439715 43.8140421 44.6907549
45.0221265
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034325 0.0034330 0.0034331 0.0034339
0.0034351 93.6717836 99.8034130 108.3971362 158.8968540
162.4831926 176.1902275 198.3306427 213.4269212 217.6897344
236.6069526 269.5828422 279.1653754 282.2447620 288.3023319
298.0791430 307.2361871 313.4945876 318.3970921 329.1601225
333.8318052 339.1307544 347.7241116 348.1370382 354.6527368
358.8303359 382.4555410 383.1038887 392.2683409 401.5861667
406.5335996 408.7297339 425.6821894 427.0296590 431.6033782
439.2002819 439.8888844 446.1942761 453.2918390 456.7757138
460.1602303 470.0285296 475.9738359 478.6908692 487.6491095
492.6432301 502.7252399 510.6411046 513.5631631 523.0087308
524.6367803 534.4690334 536.2721078 538.5819913 545.3923790
550.3914092 551.2949791 559.4595596 562.9872974 568.0008661
571.9082898 576.8787508 582.2397525 585.9166487 588.2003919
592.3219814 596.1050684 599.8157140 605.4212941 609.6463053
615.1331397 621.6564649 627.0182486 634.9858056 638.6302558
639.8485931 643.6875833 648.2553177 649.2502389 653.9615645
658.6992519 660.7994308 666.5801909 669.2125717 674.7024621
680.4497071 681.3023501 685.6235636 690.8071612 691.8889250
696.7946023 698.1046387 703.4637506 705.9839841 707.0784141
708.5516076 714.8101943 716.5711168 718.7898582 725.9456807
728.6320698
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9784
Rtb_to_modes> Number of blocs = 175
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: 9.9888E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9916E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9948E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.7441
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.8447
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9964
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.141
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.239
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.633
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.336
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.863
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.019
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.747
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 6.163
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.609
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.756
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.049
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.535
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.005
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.334
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.597
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.188
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.451
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 9.753
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.25
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 10.28
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 10.67
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 10.92
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 12.40
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 12.45
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 13.05
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 13.68
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.02
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 14.17
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 15.37
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 15.46
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 15.80
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 16.36
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 16.41
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 16.88
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 17.42
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 17.69
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 17.96
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 18.74
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 19.21
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 20.17
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 20.58
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 21.43
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 22.11
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 23.20
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 24.22
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 24.39
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 24.60
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 25.22
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 25.69
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 25.77
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 26.54
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 26.88
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 27.36
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 27.74
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 28.22
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 28.75
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 29.11
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 29.34
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 29.75
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 30.13
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 30.51
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 31.52
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 32.09
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 32.77
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 33.34
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 34.19
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 34.59
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 34.72
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 35.14
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 35.64
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 35.75
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 36.27
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 36.79
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 37.03
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 37.68
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 37.98
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 38.60
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 39.26
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 39.36
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 39.86
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 40.47
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 40.60
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 41.17
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 41.33
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 41.97
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 42.27
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 42.40
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 42.57
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 43.33
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 43.54
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 43.81
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 44.69
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 45.02
Rtb_to_modes> 106 vectors, with 1050 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 1.00000 0.99999 1.00000
1.00003 1.00000 1.00001 0.99997 0.99999
1.00000 1.00001 1.00001 0.99999 1.00000
1.00001 1.00000 1.00002 1.00001 1.00002
1.00002 0.99998 1.00002 1.00000 0.99999
0.99997 1.00000 1.00000 1.00001 1.00000
1.00002 1.00001 0.99999 1.00000 1.00000
0.99999 1.00000 0.99999 1.00001 1.00000
1.00002 1.00001 0.99999 1.00002 1.00001
1.00001 1.00002 0.99998 1.00001 0.99999
1.00001 0.99998 0.99998 0.99998 1.00002
1.00000 0.99999 0.99999 0.99999 0.99999
1.00000 1.00003 1.00002 0.99995 1.00000
1.00000 1.00001 1.00001 0.99999 1.00002
1.00001 0.99999 1.00000 1.00000 1.00002
1.00001 1.00000 1.00000 0.99998 1.00001
0.99999 0.99999 1.00001 1.00002 1.00001
1.00001 1.00000 0.99999 0.99999 1.00002
0.99997 1.00001 1.00002 0.99998 1.00002
1.00000 0.99999 0.99999 1.00002 0.99999
0.99999 0.99999 1.00000 1.00002 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 176112 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 1.00000 0.99999 1.00000
1.00003 1.00000 1.00001 0.99997 0.99999
1.00000 1.00001 1.00001 0.99999 1.00000
1.00001 1.00000 1.00002 1.00001 1.00002
1.00002 0.99998 1.00002 1.00000 0.99999
0.99997 1.00000 1.00000 1.00001 1.00000
1.00002 1.00001 0.99999 1.00000 1.00000
0.99999 1.00000 0.99999 1.00001 1.00000
1.00002 1.00001 0.99999 1.00002 1.00001
1.00001 1.00002 0.99998 1.00001 0.99999
1.00001 0.99998 0.99998 0.99998 1.00002
1.00000 0.99999 0.99999 0.99999 0.99999
1.00000 1.00003 1.00002 0.99995 1.00000
1.00000 1.00001 1.00001 0.99999 1.00002
1.00001 0.99999 1.00000 1.00000 1.00002
1.00001 1.00000 1.00000 0.99998 1.00001
0.99999 0.99999 1.00001 1.00002 1.00001
1.00001 1.00000 0.99999 0.99999 1.00002
0.99997 1.00001 1.00002 0.99998 1.00002
1.00000 0.99999 0.99999 1.00002 0.99999
0.99999 0.99999 1.00000 1.00002 0.99998
1.00000
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> 2404111208553625666.eigenfacs
Openam> file on opening on unit 10:
2404111208553625666.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404111208553625666.atom
Openam> file on opening on unit 11:
2404111208553625666.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 = 1222
First residue number = 1
Last residue number = 613
Number of atoms found = 9784
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9888E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 6.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 9.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 10.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 10.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 12.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 12.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 13.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 14.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 15.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 16.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 17.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 17.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 18.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 19.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 23.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 24.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 24.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 24.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 25.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 25.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 25.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 26.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 26.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 27.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 27.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 28.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 28.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 29.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 29.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 29.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 30.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 30.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 31.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 32.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 32.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 33.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 34.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 34.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 34.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 35.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 35.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 35.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 36.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 36.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 37.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 37.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 37.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 38.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 39.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 39.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 39.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 40.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 40.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 41.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 41.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 41.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 42.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 42.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 42.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 43.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 43.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 43.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 44.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 45.02
Bfactors> 106 vectors, 29352 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 : 0.744100
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= 0.757 for 1218 C-alpha atoms.
Bfactors> = 0.016 +/- 0.01
Bfactors> = 2.331 +/- 1.53
Bfactors> Shiftng-fct= 2.315
Bfactors> Scaling-fct= 103.800
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404111208553625666 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=0
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=100
2404111208553625666.eigenfacs
2404111208553625666.atom
making animated gifs
11 models are in 2404111208553625666.7.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 2404111208553625666.7.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 2404111208553625666.7.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 2404111208553625666 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=0
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=100
2404111208553625666.eigenfacs
2404111208553625666.atom
making animated gifs
11 models are in 2404111208553625666.8.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 2404111208553625666.8.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 2404111208553625666.8.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 2404111208553625666 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=0
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=100
2404111208553625666.eigenfacs
2404111208553625666.atom
making animated gifs
11 models are in 2404111208553625666.9.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 2404111208553625666.9.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 2404111208553625666.9.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 2404111208553625666 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=0
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=100
2404111208553625666.eigenfacs
2404111208553625666.atom
making animated gifs
11 models are in 2404111208553625666.10.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 2404111208553625666.10.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 2404111208553625666.10.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 2404111208553625666 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=-20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=0
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=20
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=40
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=60
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=80
2404111208553625666.eigenfacs
2404111208553625666.atom
calculating perturbed structure for DQ=100
2404111208553625666.eigenfacs
2404111208553625666.atom
making animated gifs
11 models are in 2404111208553625666.11.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 2404111208553625666.11.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 2404111208553625666.11.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
2404111208553625666.10.pdb
2404111208553625666.11.pdb
2404111208553625666.7.pdb
2404111208553625666.8.pdb
2404111208553625666.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m48.042s
user 0m47.858s
sys 0m0.184s
../../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: 2404111208553625666.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.
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