*** ***
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 = 2401171157251462944.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 2401171157251462944.atom to be opened.
Openam> File opened: 2401171157251462944.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 = 1153
First residue number = 599
Last residue number = 1205
Number of atoms found = 9455
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -22.012567 +/- 19.229397 From: -68.485000 To: 22.452000
= 31.664768 +/- 14.041735 From: -5.107000 To: 67.351000
= 115.469659 +/- 35.162584 From: 41.934000 To: 189.665000
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 0.9118 % Filled.
Pdbmat> 3668193 non-zero elements.
Pdbmat> 401337 atom-atom interactions.
Pdbmat> Number per atom= 84.89 +/- 22.58
Maximum number = 131
Minimum number = 8
Pdbmat> Matrix trace = 8.026740E+06
Pdbmat> Larger element = 516.847
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1153 non-zero elements, NRBL set to 6
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 = 2401171157251462944.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2401171157251462944.atom to be opened.
Openam> file on opening on unit 11:
2401171157251462944.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9455 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1153 residues.
Blocpdb> 51 atoms in block 1
Block first atom: 1
Blocpdb> 46 atoms in block 2
Block first atom: 52
Blocpdb> 48 atoms in block 3
Block first atom: 98
Blocpdb> 54 atoms in block 4
Block first atom: 146
Blocpdb> 50 atoms in block 5
Block first atom: 200
Blocpdb> 48 atoms in block 6
Block first atom: 250
Blocpdb> 50 atoms in block 7
Block first atom: 298
Blocpdb> 53 atoms in block 8
Block first atom: 348
Blocpdb> 51 atoms in block 9
Block first atom: 401
Blocpdb> 57 atoms in block 10
Block first atom: 452
Blocpdb> 50 atoms in block 11
Block first atom: 509
Blocpdb> 55 atoms in block 12
Block first atom: 559
Blocpdb> 43 atoms in block 13
Block first atom: 614
Blocpdb> 43 atoms in block 14
Block first atom: 657
Blocpdb> 47 atoms in block 15
Block first atom: 700
Blocpdb> 48 atoms in block 16
Block first atom: 747
Blocpdb> 50 atoms in block 17
Block first atom: 795
Blocpdb> 48 atoms in block 18
Block first atom: 845
Blocpdb> 55 atoms in block 19
Block first atom: 893
Blocpdb> 59 atoms in block 20
Block first atom: 948
Blocpdb> 43 atoms in block 21
Block first atom: 1007
Blocpdb> 48 atoms in block 22
Block first atom: 1050
Blocpdb> 49 atoms in block 23
Block first atom: 1098
Blocpdb> 53 atoms in block 24
Block first atom: 1147
Blocpdb> 43 atoms in block 25
Block first atom: 1200
Blocpdb> 46 atoms in block 26
Block first atom: 1243
Blocpdb> 48 atoms in block 27
Block first atom: 1289
Blocpdb> 51 atoms in block 28
Block first atom: 1337
Blocpdb> 54 atoms in block 29
Block first atom: 1388
Blocpdb> 49 atoms in block 30
Block first atom: 1442
Blocpdb> 45 atoms in block 31
Block first atom: 1491
Blocpdb> 50 atoms in block 32
Block first atom: 1536
Blocpdb> 53 atoms in block 33
Block first atom: 1586
Blocpdb> 45 atoms in block 34
Block first atom: 1639
Blocpdb> 50 atoms in block 35
Block first atom: 1684
Blocpdb> 56 atoms in block 36
Block first atom: 1734
Blocpdb> 52 atoms in block 37
Block first atom: 1790
Blocpdb> 39 atoms in block 38
Block first atom: 1842
Blocpdb> 38 atoms in block 39
Block first atom: 1881
Blocpdb> 45 atoms in block 40
Block first atom: 1919
Blocpdb> 41 atoms in block 41
Block first atom: 1964
Blocpdb> 43 atoms in block 42
Block first atom: 2005
Blocpdb> 48 atoms in block 43
Block first atom: 2048
Blocpdb> 51 atoms in block 44
Block first atom: 2096
Blocpdb> 56 atoms in block 45
Block first atom: 2147
Blocpdb> 48 atoms in block 46
Block first atom: 2203
Blocpdb> 50 atoms in block 47
Block first atom: 2251
Blocpdb> 48 atoms in block 48
Block first atom: 2301
Blocpdb> 53 atoms in block 49
Block first atom: 2349
Blocpdb> 45 atoms in block 50
Block first atom: 2402
Blocpdb> 54 atoms in block 51
Block first atom: 2447
Blocpdb> 55 atoms in block 52
Block first atom: 2501
Blocpdb> 44 atoms in block 53
Block first atom: 2556
Blocpdb> 44 atoms in block 54
Block first atom: 2600
Blocpdb> 52 atoms in block 55
Block first atom: 2644
Blocpdb> 61 atoms in block 56
Block first atom: 2696
Blocpdb> 48 atoms in block 57
Block first atom: 2757
Blocpdb> 50 atoms in block 58
Block first atom: 2805
Blocpdb> 48 atoms in block 59
Block first atom: 2855
Blocpdb> 55 atoms in block 60
Block first atom: 2903
Blocpdb> 42 atoms in block 61
Block first atom: 2958
Blocpdb> 48 atoms in block 62
Block first atom: 3000
Blocpdb> 51 atoms in block 63
Block first atom: 3048
Blocpdb> 54 atoms in block 64
Block first atom: 3099
Blocpdb> 38 atoms in block 65
Block first atom: 3153
Blocpdb> 45 atoms in block 66
Block first atom: 3191
Blocpdb> 58 atoms in block 67
Block first atom: 3236
Blocpdb> 56 atoms in block 68
Block first atom: 3294
Blocpdb> 45 atoms in block 69
Block first atom: 3350
Blocpdb> 48 atoms in block 70
Block first atom: 3395
Blocpdb> 46 atoms in block 71
Block first atom: 3443
Blocpdb> 52 atoms in block 72
Block first atom: 3489
Blocpdb> 48 atoms in block 73
Block first atom: 3541
Blocpdb> 49 atoms in block 74
Block first atom: 3589
Blocpdb> 43 atoms in block 75
Block first atom: 3638
Blocpdb> 56 atoms in block 76
Block first atom: 3681
Blocpdb> 53 atoms in block 77
Block first atom: 3737
Blocpdb> 52 atoms in block 78
Block first atom: 3790
Blocpdb> 61 atoms in block 79
Block first atom: 3842
Blocpdb> 51 atoms in block 80
Block first atom: 3903
Blocpdb> 45 atoms in block 81
Block first atom: 3954
Blocpdb> 48 atoms in block 82
Block first atom: 3999
Blocpdb> 49 atoms in block 83
Block first atom: 4047
Blocpdb> 50 atoms in block 84
Block first atom: 4096
Blocpdb> 48 atoms in block 85
Block first atom: 4146
Blocpdb> 44 atoms in block 86
Block first atom: 4194
Blocpdb> 45 atoms in block 87
Block first atom: 4238
Blocpdb> 45 atoms in block 88
Block first atom: 4283
Blocpdb> 45 atoms in block 89
Block first atom: 4328
Blocpdb> 50 atoms in block 90
Block first atom: 4373
Blocpdb> 45 atoms in block 91
Block first atom: 4423
Blocpdb> 48 atoms in block 92
Block first atom: 4468
Blocpdb> 48 atoms in block 93
Block first atom: 4516
Blocpdb> 61 atoms in block 94
Block first atom: 4564
Blocpdb> 41 atoms in block 95
Block first atom: 4625
Blocpdb> 19 atoms in block 96
Block first atom: 4666
Blocpdb> 49 atoms in block 97
Block first atom: 4685
Blocpdb> 47 atoms in block 98
Block first atom: 4734
Blocpdb> 52 atoms in block 99
Block first atom: 4781
Blocpdb> 50 atoms in block 100
Block first atom: 4833
Blocpdb> 50 atoms in block 101
Block first atom: 4883
Blocpdb> 48 atoms in block 102
Block first atom: 4933
Blocpdb> 51 atoms in block 103
Block first atom: 4981
Blocpdb> 49 atoms in block 104
Block first atom: 5032
Blocpdb> 55 atoms in block 105
Block first atom: 5081
Blocpdb> 55 atoms in block 106
Block first atom: 5136
Blocpdb> 51 atoms in block 107
Block first atom: 5191
Blocpdb> 55 atoms in block 108
Block first atom: 5242
Blocpdb> 43 atoms in block 109
Block first atom: 5297
Blocpdb> 43 atoms in block 110
Block first atom: 5340
Blocpdb> 47 atoms in block 111
Block first atom: 5383
Blocpdb> 51 atoms in block 112
Block first atom: 5430
Blocpdb> 48 atoms in block 113
Block first atom: 5481
Blocpdb> 46 atoms in block 114
Block first atom: 5529
Blocpdb> 59 atoms in block 115
Block first atom: 5575
Blocpdb> 57 atoms in block 116
Block first atom: 5634
Blocpdb> 42 atoms in block 117
Block first atom: 5691
Blocpdb> 49 atoms in block 118
Block first atom: 5733
Blocpdb> 46 atoms in block 119
Block first atom: 5782
Blocpdb> 53 atoms in block 120
Block first atom: 5828
Blocpdb> 48 atoms in block 121
Block first atom: 5881
Blocpdb> 42 atoms in block 122
Block first atom: 5929
Blocpdb> 51 atoms in block 123
Block first atom: 5971
Blocpdb> 53 atoms in block 124
Block first atom: 6022
Blocpdb> 50 atoms in block 125
Block first atom: 6075
Blocpdb> 50 atoms in block 126
Block first atom: 6125
Blocpdb> 45 atoms in block 127
Block first atom: 6175
Blocpdb> 52 atoms in block 128
Block first atom: 6220
Blocpdb> 52 atoms in block 129
Block first atom: 6272
Blocpdb> 42 atoms in block 130
Block first atom: 6324
Blocpdb> 51 atoms in block 131
Block first atom: 6366
Blocpdb> 53 atoms in block 132
Block first atom: 6417
Blocpdb> 53 atoms in block 133
Block first atom: 6470
Blocpdb> 43 atoms in block 134
Block first atom: 6523
Blocpdb> 32 atoms in block 135
Block first atom: 6566
Blocpdb> 49 atoms in block 136
Block first atom: 6598
Blocpdb> 41 atoms in block 137
Block first atom: 6647
Blocpdb> 44 atoms in block 138
Block first atom: 6688
Blocpdb> 51 atoms in block 139
Block first atom: 6732
Blocpdb> 47 atoms in block 140
Block first atom: 6783
Blocpdb> 56 atoms in block 141
Block first atom: 6830
Blocpdb> 45 atoms in block 142
Block first atom: 6886
Blocpdb> 55 atoms in block 143
Block first atom: 6931
Blocpdb> 50 atoms in block 144
Block first atom: 6986
Blocpdb> 48 atoms in block 145
Block first atom: 7036
Blocpdb> 47 atoms in block 146
Block first atom: 7084
Blocpdb> 55 atoms in block 147
Block first atom: 7131
Blocpdb> 53 atoms in block 148
Block first atom: 7186
Blocpdb> 42 atoms in block 149
Block first atom: 7239
Blocpdb> 49 atoms in block 150
Block first atom: 7281
Blocpdb> 53 atoms in block 151
Block first atom: 7330
Blocpdb> 58 atoms in block 152
Block first atom: 7383
Blocpdb> 48 atoms in block 153
Block first atom: 7441
Blocpdb> 49 atoms in block 154
Block first atom: 7489
Blocpdb> 48 atoms in block 155
Block first atom: 7538
Blocpdb> 58 atoms in block 156
Block first atom: 7586
Blocpdb> 50 atoms in block 157
Block first atom: 7644
Blocpdb> 48 atoms in block 158
Block first atom: 7694
Blocpdb> 51 atoms in block 159
Block first atom: 7742
Blocpdb> 54 atoms in block 160
Block first atom: 7793
Blocpdb> 38 atoms in block 161
Block first atom: 7847
Blocpdb> 45 atoms in block 162
Block first atom: 7885
Blocpdb> 58 atoms in block 163
Block first atom: 7930
Blocpdb> 56 atoms in block 164
Block first atom: 7988
Blocpdb> 45 atoms in block 165
Block first atom: 8044
Blocpdb> 48 atoms in block 166
Block first atom: 8089
Blocpdb> 46 atoms in block 167
Block first atom: 8137
Blocpdb> 52 atoms in block 168
Block first atom: 8183
Blocpdb> 48 atoms in block 169
Block first atom: 8235
Blocpdb> 49 atoms in block 170
Block first atom: 8283
Blocpdb> 43 atoms in block 171
Block first atom: 8332
Blocpdb> 56 atoms in block 172
Block first atom: 8375
Blocpdb> 53 atoms in block 173
Block first atom: 8431
Blocpdb> 52 atoms in block 174
Block first atom: 8484
Blocpdb> 61 atoms in block 175
Block first atom: 8536
Blocpdb> 51 atoms in block 176
Block first atom: 8597
Blocpdb> 45 atoms in block 177
Block first atom: 8648
Blocpdb> 48 atoms in block 178
Block first atom: 8693
Blocpdb> 49 atoms in block 179
Block first atom: 8741
Blocpdb> 50 atoms in block 180
Block first atom: 8790
Blocpdb> 42 atoms in block 181
Block first atom: 8840
Blocpdb> 49 atoms in block 182
Block first atom: 8882
Blocpdb> 51 atoms in block 183
Block first atom: 8931
Blocpdb> 43 atoms in block 184
Block first atom: 8982
Blocpdb> 42 atoms in block 185
Block first atom: 9025
Blocpdb> 47 atoms in block 186
Block first atom: 9067
Blocpdb> 46 atoms in block 187
Block first atom: 9114
Blocpdb> 50 atoms in block 188
Block first atom: 9160
Blocpdb> 49 atoms in block 189
Block first atom: 9210
Blocpdb> 43 atoms in block 190
Block first atom: 9259
Blocpdb> 54 atoms in block 191
Block first atom: 9302
Blocpdb> 55 atoms in block 192
Block first atom: 9356
Blocpdb> 45 atoms in block 193
Block first atom: 9410
Blocpdb> 193 blocks.
Blocpdb> At most, 61 atoms in each of them.
Blocpdb> At least, 19 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> 3668386 matrix lines read.
Prepmat> Matrix order = 28365
Prepmat> Matrix trace = 8026740.0000
Prepmat> Last element read: 28365 28365 105.2460
Prepmat> 18722 lines saved.
Prepmat> 17027 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: 9455
RTB> Total mass = 9455.0000
RTB> Number of atoms found in matrix: 9455
RTB> Number of blocks = 193
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 220230.4789
RTB> 58089 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 = 1158
Diagstd> Nb of non-zero elements: 58089
Diagstd> Projected matrix trace = 220230.4789
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1158 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 220230.4789
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 0.0987428 0.1619706 0.3009349 0.3927143
0.5364199 0.8312507 1.1625014 1.4349625 1.6632719
2.4333602 3.0748432 3.4116977 3.8465118 4.3537745
4.7216810 4.8383163 5.0766697 5.7271075 6.4242099
6.7174311 7.1997015 8.2349620 8.4038103 9.4599889
10.2167602 10.9494512 11.3874905 11.5882963 11.9915992
12.3423308 12.7229354 12.8404026 13.3261779 13.9362902
14.1192122 14.4326337 14.8928333 15.1585622 15.6410854
15.7623420 16.2133565 17.4835404 17.6537319 17.8705312
18.2645141 18.3225608 18.6152499 19.1140593 19.3319266
19.7077116 20.1854224 20.6047899 20.9011808 21.3955999
21.5283019 21.5664103 22.5334535 22.9623223 23.3269157
23.9737709 24.4545630 25.0319018 25.1126970 25.2269377
25.8329041 25.9327692 26.4245486 26.9740040 27.5452446
28.2683791 28.6648054 28.9008126 29.8707914 30.1380761
30.4881458 30.8601880 31.0050462 31.7337422 32.2372596
32.3895233 32.6988890 32.9600404 33.4393431 34.0130926
34.3336782 34.4430033 35.5132334 35.8609728 36.3482447
36.4736280 36.9932906 37.1316658 37.5388385 37.8000463
38.4657948 39.1062487 39.7080554 40.0915655 40.4044909
40.8026318
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034329 0.0034332 0.0034334 0.0034349
0.0034371 34.1230689 43.7032193 59.5705449 68.0508629
79.5330645 99.0059464 117.0825079 130.0815054 140.0479979
169.3941794 190.4174612 200.5767325 212.9750927 226.5834829
235.9628336 238.8594397 244.6722602 259.8740698 275.2359399
281.4471724 291.3751607 311.6205421 314.7990411 333.9954828
347.0978148 359.3283287 366.4454166 369.6622276 376.0398176
381.4994104 387.3369613 389.1209385 396.4131783 405.3861156
408.0379082 412.5419101 419.0674643 422.7895902 429.4659378
431.1274281 437.2519418 454.0565768 456.2612054 459.0542481
464.0869345 464.8238099 468.5217059 474.7574021 477.4554439
482.0736345 487.8813321 492.9233321 496.4559169 502.2934488
503.8487293 504.2944770 515.4768414 520.3591369 524.4739722
531.6960768 537.0011723 543.3031250 544.1792256 545.4155903
551.9273250 552.9931192 558.2118724 563.9855657 569.9261668
577.3587256 581.3929742 583.7814715 593.4971594 596.1465605
599.5988439 603.2461570 604.6603228 611.7245708 616.5585698
618.0129253 620.9573596 623.4320827 627.9486762 633.3129100
636.2905105 637.3027423 647.1282930 650.2888590 654.6919510
655.8201597 660.4755756 661.7096935 665.3278388 667.6386126
673.4923013 679.0759649 684.2811710 687.5777078 690.2558560
693.6483672
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9455
Rtb_to_modes> Number of blocs = 193
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: 9.9933E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9955E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0018E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.8743E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1620
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3009
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3927
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5364
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.8313
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.163
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.435
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.663
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.433
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.075
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.412
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.847
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.354
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.722
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.838
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.077
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.727
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.424
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.717
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.200
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 8.235
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.404
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 9.460
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 10.22
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 10.95
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 11.59
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 12.72
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 12.84
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 13.33
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 13.94
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 14.12
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 14.89
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 15.64
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 15.76
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 17.48
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 17.65
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 17.87
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 18.26
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 18.32
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 18.62
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 19.11
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 19.33
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 19.71
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 20.60
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 20.90
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 21.40
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 21.53
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 22.53
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.96
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 23.33
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 23.97
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 24.45
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 25.03
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.11
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 25.23
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 25.83
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.93
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 26.42
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 26.97
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 27.55
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 28.27
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.66
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 28.90
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 29.87
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.14
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 30.49
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 30.86
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.01
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.73
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 32.24
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 32.39
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 32.70
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 32.96
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 33.44
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.01
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 34.33
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 34.44
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.51
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 35.86
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.35
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 36.47
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 36.99
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 37.13
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 37.54
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 37.80
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 38.47
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 39.11
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 39.71
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 40.09
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 40.40
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 40.80
Rtb_to_modes> 106 vectors, with 1158 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 0.99999 1.00001
0.99999 0.99999 1.00001 1.00001 1.00000
1.00001 1.00003 0.99998 1.00001 1.00001
0.99998 1.00001 1.00003 1.00000 0.99999
1.00001 1.00001 0.99999 1.00000 1.00001
1.00001 1.00001 1.00000 1.00003 1.00000
1.00000 1.00002 0.99999 1.00000 1.00000
0.99999 1.00000 1.00001 1.00003 1.00001
0.99999 1.00001 0.99998 0.99996 0.99999
1.00003 0.99996 1.00001 1.00000 0.99999
0.99999 1.00000 0.99999 1.00000 0.99998
1.00004 1.00000 1.00000 1.00001 0.99998
1.00002 0.99999 0.99999 1.00001 1.00002
1.00002 0.99999 0.99998 1.00001 1.00002
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 1.00002 0.99999 1.00000 0.99997
1.00000 1.00001 1.00000 1.00001 0.99999
0.99998 0.99998 0.99998 1.00000 0.99997
1.00001 1.00001 1.00001 1.00001 1.00001
1.00001 1.00003 0.99998 0.99999 0.99999
0.99995 1.00000 0.99997 1.00000 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 170190 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 0.99999 1.00001
0.99999 0.99999 1.00001 1.00001 1.00000
1.00001 1.00003 0.99998 1.00001 1.00001
0.99998 1.00001 1.00003 1.00000 0.99999
1.00001 1.00001 0.99999 1.00000 1.00001
1.00001 1.00001 1.00000 1.00003 1.00000
1.00000 1.00002 0.99999 1.00000 1.00000
0.99999 1.00000 1.00001 1.00003 1.00001
0.99999 1.00001 0.99998 0.99996 0.99999
1.00003 0.99996 1.00001 1.00000 0.99999
0.99999 1.00000 0.99999 1.00000 0.99998
1.00004 1.00000 1.00000 1.00001 0.99998
1.00002 0.99999 0.99999 1.00001 1.00002
1.00002 0.99999 0.99998 1.00001 1.00002
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 1.00002 0.99999 1.00000 0.99997
1.00000 1.00001 1.00000 1.00001 0.99999
0.99998 0.99998 0.99998 1.00000 0.99997
1.00001 1.00001 1.00001 1.00001 1.00001
1.00001 1.00003 0.99998 0.99999 0.99999
0.99995 1.00000 0.99997 1.00000 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> 2401171157251462944.eigenfacs
Openam> file on opening on unit 10:
2401171157251462944.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401171157251462944.atom
Openam> file on opening on unit 11:
2401171157251462944.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 = 1153
First residue number = 599
Last residue number = 1205
Number of atoms found = 9455
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8743E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.075
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 8.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 11.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 12.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 13.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 14.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 15.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 15.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 17.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 18.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 18.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 19.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 20.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 20.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 21.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 21.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 22.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 23.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 23.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 24.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 25.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 25.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 25.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 26.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 26.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 27.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 28.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 28.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 28.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 29.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 30.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 30.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 32.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 32.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 32.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 32.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 33.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 34.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 34.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 35.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 36.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 36.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 37.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 37.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 37.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 38.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 39.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 39.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 40.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 40.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 40.80
Bfactors> 106 vectors, 28365 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 : 0.098743
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= 0.577 for 1153 C-alpha atoms.
Bfactors> = 0.055 +/- 0.04
Bfactors> = 77.517 +/- 11.50
Bfactors> Shiftng-fct= 77.462
Bfactors> Scaling-fct= 275.648
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401171157251462944 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=0
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=100
2401171157251462944.eigenfacs
2401171157251462944.atom
making animated gifs
11 models are in 2401171157251462944.7.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 2401171157251462944.7.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 2401171157251462944.7.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 2401171157251462944 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=0
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=100
2401171157251462944.eigenfacs
2401171157251462944.atom
making animated gifs
11 models are in 2401171157251462944.8.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 2401171157251462944.8.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 2401171157251462944.8.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 2401171157251462944 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=0
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=100
2401171157251462944.eigenfacs
2401171157251462944.atom
making animated gifs
11 models are in 2401171157251462944.9.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 2401171157251462944.9.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 2401171157251462944.9.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 2401171157251462944 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=0
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=100
2401171157251462944.eigenfacs
2401171157251462944.atom
making animated gifs
11 models are in 2401171157251462944.10.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 2401171157251462944.10.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 2401171157251462944.10.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 2401171157251462944 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=-20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=0
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=20
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=40
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=60
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=80
2401171157251462944.eigenfacs
2401171157251462944.atom
calculating perturbed structure for DQ=100
2401171157251462944.eigenfacs
2401171157251462944.atom
making animated gifs
11 models are in 2401171157251462944.11.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 2401171157251462944.11.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 2401171157251462944.11.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
2401171157251462944.10.pdb
2401171157251462944.11.pdb
2401171157251462944.7.pdb
2401171157251462944.8.pdb
2401171157251462944.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m50.003s
user 0m49.764s
sys 0m0.164s
../../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: 2401171157251462944.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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