*** ***
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 = 2401171149191459950.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 2401171149191459950.atom to be opened.
Openam> File opened: 2401171149191459950.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 = 571
First residue number = 599
Last residue number = 1205
Number of atoms found = 4684
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -35.556305 +/- 12.630833 From: -68.485000 To: -8.167000
= 37.111803 +/- 12.888847 From: 7.537000 To: 67.351000
= 86.124020 +/- 20.800047 From: 41.934000 To: 124.929000
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 1.8310 % Filled.
Pdbmat> 1807846 non-zero elements.
Pdbmat> 197778 atom-atom interactions.
Pdbmat> Number per atom= 84.45 +/- 22.88
Maximum number = 131
Minimum number = 8
Pdbmat> Matrix trace = 3.955560E+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)
571 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401171149191459950.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401171149191459950.atom to be opened.
Openam> file on opening on unit 11:
2401171149191459950.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4684 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 571 residues.
Blocpdb> 27 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 28
Blocpdb> 23 atoms in block 3
Block first atom: 52
Blocpdb> 23 atoms in block 4
Block first atom: 75
Blocpdb> 24 atoms in block 5
Block first atom: 98
Blocpdb> 24 atoms in block 6
Block first atom: 122
Blocpdb> 32 atoms in block 7
Block first atom: 146
Blocpdb> 22 atoms in block 8
Block first atom: 178
Blocpdb> 21 atoms in block 9
Block first atom: 200
Blocpdb> 29 atoms in block 10
Block first atom: 221
Blocpdb> 22 atoms in block 11
Block first atom: 250
Blocpdb> 26 atoms in block 12
Block first atom: 272
Blocpdb> 26 atoms in block 13
Block first atom: 298
Blocpdb> 24 atoms in block 14
Block first atom: 324
Blocpdb> 27 atoms in block 15
Block first atom: 348
Blocpdb> 26 atoms in block 16
Block first atom: 375
Blocpdb> 25 atoms in block 17
Block first atom: 401
Blocpdb> 26 atoms in block 18
Block first atom: 426
Blocpdb> 26 atoms in block 19
Block first atom: 452
Blocpdb> 31 atoms in block 20
Block first atom: 478
Blocpdb> 23 atoms in block 21
Block first atom: 509
Blocpdb> 27 atoms in block 22
Block first atom: 532
Blocpdb> 28 atoms in block 23
Block first atom: 559
Blocpdb> 27 atoms in block 24
Block first atom: 587
Blocpdb> 23 atoms in block 25
Block first atom: 614
Blocpdb> 20 atoms in block 26
Block first atom: 637
Blocpdb> 17 atoms in block 27
Block first atom: 657
Blocpdb> 26 atoms in block 28
Block first atom: 674
Blocpdb> 21 atoms in block 29
Block first atom: 700
Blocpdb> 26 atoms in block 30
Block first atom: 721
Blocpdb> 23 atoms in block 31
Block first atom: 747
Blocpdb> 25 atoms in block 32
Block first atom: 770
Blocpdb> 32 atoms in block 33
Block first atom: 795
Blocpdb> 18 atoms in block 34
Block first atom: 827
Blocpdb> 20 atoms in block 35
Block first atom: 845
Blocpdb> 28 atoms in block 36
Block first atom: 865
Blocpdb> 22 atoms in block 37
Block first atom: 893
Blocpdb> 33 atoms in block 38
Block first atom: 915
Blocpdb> 27 atoms in block 39
Block first atom: 948
Blocpdb> 32 atoms in block 40
Block first atom: 975
Blocpdb> 21 atoms in block 41
Block first atom: 1007
Blocpdb> 22 atoms in block 42
Block first atom: 1028
Blocpdb> 22 atoms in block 43
Block first atom: 1050
Blocpdb> 26 atoms in block 44
Block first atom: 1072
Blocpdb> 21 atoms in block 45
Block first atom: 1098
Blocpdb> 28 atoms in block 46
Block first atom: 1119
Blocpdb> 20 atoms in block 47
Block first atom: 1147
Blocpdb> 33 atoms in block 48
Block first atom: 1167
Blocpdb> 23 atoms in block 49
Block first atom: 1200
Blocpdb> 20 atoms in block 50
Block first atom: 1223
Blocpdb> 27 atoms in block 51
Block first atom: 1243
Blocpdb> 19 atoms in block 52
Block first atom: 1270
Blocpdb> 23 atoms in block 53
Block first atom: 1289
Blocpdb> 25 atoms in block 54
Block first atom: 1312
Blocpdb> 30 atoms in block 55
Block first atom: 1337
Blocpdb> 21 atoms in block 56
Block first atom: 1367
Blocpdb> 28 atoms in block 57
Block first atom: 1388
Blocpdb> 26 atoms in block 58
Block first atom: 1416
Blocpdb> 23 atoms in block 59
Block first atom: 1442
Blocpdb> 26 atoms in block 60
Block first atom: 1465
Blocpdb> 23 atoms in block 61
Block first atom: 1491
Blocpdb> 22 atoms in block 62
Block first atom: 1514
Blocpdb> 23 atoms in block 63
Block first atom: 1536
Blocpdb> 27 atoms in block 64
Block first atom: 1559
Blocpdb> 24 atoms in block 65
Block first atom: 1586
Blocpdb> 29 atoms in block 66
Block first atom: 1610
Blocpdb> 21 atoms in block 67
Block first atom: 1639
Blocpdb> 24 atoms in block 68
Block first atom: 1660
Blocpdb> 25 atoms in block 69
Block first atom: 1684
Blocpdb> 25 atoms in block 70
Block first atom: 1709
Blocpdb> 30 atoms in block 71
Block first atom: 1734
Blocpdb> 26 atoms in block 72
Block first atom: 1764
Blocpdb> 22 atoms in block 73
Block first atom: 1790
Blocpdb> 30 atoms in block 74
Block first atom: 1812
Blocpdb> 17 atoms in block 75
Block first atom: 1842
Blocpdb> 22 atoms in block 76
Block first atom: 1859
Blocpdb> 22 atoms in block 77
Block first atom: 1881
Blocpdb> 16 atoms in block 78
Block first atom: 1903
Blocpdb> 22 atoms in block 79
Block first atom: 1919
Blocpdb> 23 atoms in block 80
Block first atom: 1941
Blocpdb> 20 atoms in block 81
Block first atom: 1964
Blocpdb> 21 atoms in block 82
Block first atom: 1984
Blocpdb> 21 atoms in block 83
Block first atom: 2005
Blocpdb> 22 atoms in block 84
Block first atom: 2026
Blocpdb> 26 atoms in block 85
Block first atom: 2048
Blocpdb> 22 atoms in block 86
Block first atom: 2074
Blocpdb> 28 atoms in block 87
Block first atom: 2096
Blocpdb> 23 atoms in block 88
Block first atom: 2124
Blocpdb> 30 atoms in block 89
Block first atom: 2147
Blocpdb> 26 atoms in block 90
Block first atom: 2177
Blocpdb> 23 atoms in block 91
Block first atom: 2203
Blocpdb> 25 atoms in block 92
Block first atom: 2226
Blocpdb> 26 atoms in block 93
Block first atom: 2251
Blocpdb> 24 atoms in block 94
Block first atom: 2277
Blocpdb> 24 atoms in block 95
Block first atom: 2301
Blocpdb> 24 atoms in block 96
Block first atom: 2325
Blocpdb> 29 atoms in block 97
Block first atom: 2349
Blocpdb> 24 atoms in block 98
Block first atom: 2378
Blocpdb> 23 atoms in block 99
Block first atom: 2402
Blocpdb> 22 atoms in block 100
Block first atom: 2425
Blocpdb> 27 atoms in block 101
Block first atom: 2447
Blocpdb> 27 atoms in block 102
Block first atom: 2474
Blocpdb> 26 atoms in block 103
Block first atom: 2501
Blocpdb> 29 atoms in block 104
Block first atom: 2527
Blocpdb> 22 atoms in block 105
Block first atom: 2556
Blocpdb> 22 atoms in block 106
Block first atom: 2578
Blocpdb> 21 atoms in block 107
Block first atom: 2600
Blocpdb> 23 atoms in block 108
Block first atom: 2621
Blocpdb> 31 atoms in block 109
Block first atom: 2644
Blocpdb> 21 atoms in block 110
Block first atom: 2675
Blocpdb> 29 atoms in block 111
Block first atom: 2696
Blocpdb> 32 atoms in block 112
Block first atom: 2725
Blocpdb> 27 atoms in block 113
Block first atom: 2757
Blocpdb> 21 atoms in block 114
Block first atom: 2784
Blocpdb> 26 atoms in block 115
Block first atom: 2805
Blocpdb> 24 atoms in block 116
Block first atom: 2831
Blocpdb> 27 atoms in block 117
Block first atom: 2855
Blocpdb> 21 atoms in block 118
Block first atom: 2882
Blocpdb> 27 atoms in block 119
Block first atom: 2903
Blocpdb> 28 atoms in block 120
Block first atom: 2930
Blocpdb> 25 atoms in block 121
Block first atom: 2958
Blocpdb> 17 atoms in block 122
Block first atom: 2983
Blocpdb> 27 atoms in block 123
Block first atom: 3000
Blocpdb> 21 atoms in block 124
Block first atom: 3027
Blocpdb> 25 atoms in block 125
Block first atom: 3048
Blocpdb> 26 atoms in block 126
Block first atom: 3073
Blocpdb> 30 atoms in block 127
Block first atom: 3099
Blocpdb> 24 atoms in block 128
Block first atom: 3129
Blocpdb> 18 atoms in block 129
Block first atom: 3153
Blocpdb> 20 atoms in block 130
Block first atom: 3171
Blocpdb> 26 atoms in block 131
Block first atom: 3191
Blocpdb> 19 atoms in block 132
Block first atom: 3217
Blocpdb> 33 atoms in block 133
Block first atom: 3236
Blocpdb> 25 atoms in block 134
Block first atom: 3269
Blocpdb> 31 atoms in block 135
Block first atom: 3294
Blocpdb> 25 atoms in block 136
Block first atom: 3325
Blocpdb> 22 atoms in block 137
Block first atom: 3350
Blocpdb> 23 atoms in block 138
Block first atom: 3372
Blocpdb> 26 atoms in block 139
Block first atom: 3395
Blocpdb> 22 atoms in block 140
Block first atom: 3421
Blocpdb> 26 atoms in block 141
Block first atom: 3443
Blocpdb> 20 atoms in block 142
Block first atom: 3469
Blocpdb> 30 atoms in block 143
Block first atom: 3489
Blocpdb> 22 atoms in block 144
Block first atom: 3519
Blocpdb> 28 atoms in block 145
Block first atom: 3541
Blocpdb> 20 atoms in block 146
Block first atom: 3569
Blocpdb> 24 atoms in block 147
Block first atom: 3589
Blocpdb> 25 atoms in block 148
Block first atom: 3613
Blocpdb> 24 atoms in block 149
Block first atom: 3638
Blocpdb> 19 atoms in block 150
Block first atom: 3662
Blocpdb> 27 atoms in block 151
Block first atom: 3681
Blocpdb> 29 atoms in block 152
Block first atom: 3708
Blocpdb> 28 atoms in block 153
Block first atom: 3737
Blocpdb> 25 atoms in block 154
Block first atom: 3765
Blocpdb> 28 atoms in block 155
Block first atom: 3790
Blocpdb> 24 atoms in block 156
Block first atom: 3818
Blocpdb> 28 atoms in block 157
Block first atom: 3842
Blocpdb> 33 atoms in block 158
Block first atom: 3870
Blocpdb> 29 atoms in block 159
Block first atom: 3903
Blocpdb> 22 atoms in block 160
Block first atom: 3932
Blocpdb> 24 atoms in block 161
Block first atom: 3954
Blocpdb> 21 atoms in block 162
Block first atom: 3978
Blocpdb> 26 atoms in block 163
Block first atom: 3999
Blocpdb> 22 atoms in block 164
Block first atom: 4025
Blocpdb> 24 atoms in block 165
Block first atom: 4047
Blocpdb> 25 atoms in block 166
Block first atom: 4071
Blocpdb> 24 atoms in block 167
Block first atom: 4096
Blocpdb> 26 atoms in block 168
Block first atom: 4120
Blocpdb> 22 atoms in block 169
Block first atom: 4146
Blocpdb> 26 atoms in block 170
Block first atom: 4168
Blocpdb> 25 atoms in block 171
Block first atom: 4194
Blocpdb> 19 atoms in block 172
Block first atom: 4219
Blocpdb> 20 atoms in block 173
Block first atom: 4238
Blocpdb> 25 atoms in block 174
Block first atom: 4258
Blocpdb> 21 atoms in block 175
Block first atom: 4283
Blocpdb> 24 atoms in block 176
Block first atom: 4304
Blocpdb> 20 atoms in block 177
Block first atom: 4328
Blocpdb> 25 atoms in block 178
Block first atom: 4348
Blocpdb> 23 atoms in block 179
Block first atom: 4373
Blocpdb> 27 atoms in block 180
Block first atom: 4396
Blocpdb> 23 atoms in block 181
Block first atom: 4423
Blocpdb> 22 atoms in block 182
Block first atom: 4446
Blocpdb> 25 atoms in block 183
Block first atom: 4468
Blocpdb> 23 atoms in block 184
Block first atom: 4493
Blocpdb> 21 atoms in block 185
Block first atom: 4516
Blocpdb> 27 atoms in block 186
Block first atom: 4537
Blocpdb> 30 atoms in block 187
Block first atom: 4564
Blocpdb> 31 atoms in block 188
Block first atom: 4594
Blocpdb> 23 atoms in block 189
Block first atom: 4625
Blocpdb> 18 atoms in block 190
Block first atom: 4648
Blocpdb> 19 atoms in block 191
Block first atom: 4665
Blocpdb> 191 blocks.
Blocpdb> At most, 33 atoms in each of them.
Blocpdb> At least, 16 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> 1808037 matrix lines read.
Prepmat> Matrix order = 14052
Prepmat> Matrix trace = 3955560.0000
Prepmat> Last element read: 14052 14052 107.1864
Prepmat> 18337 lines saved.
Prepmat> 16384 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: 4684
RTB> Total mass = 4684.0000
RTB> Number of atoms found in matrix: 4684
RTB> Number of blocks = 191
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 254271.8190
RTB> 67407 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 = 1146
Diagstd> Nb of non-zero elements: 67407
Diagstd> Projected matrix trace = 254271.8190
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1146 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 254271.8190
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 0.4088240 0.5233697 0.9015702 2.2860093
2.7557701 3.0308699 3.8061940 4.7431636 5.5345567
6.1044646 7.5410893 8.3780331 9.6325187 9.7412190
9.9881275 10.3869768 10.9027652 11.4541838 11.9426164
12.3467381 12.3955319 12.7296613 13.3601739 13.9866627
14.6849009 15.0472903 16.2131518 16.8238146 17.4224841
18.1829633 18.9135979 19.2424003 19.5818729 20.4723211
21.3749419 21.8711674 22.2030469 22.9262004 23.9618917
24.4982430 25.0984402 25.3320504 25.7993354 26.3833778
26.7306811 27.0296173 28.0504901 28.2512207 29.1636363
29.7235339 30.1033470 30.5024610 31.4634046 31.9705189
32.0886285 33.0374630 33.2788308 33.9788076 34.0541870
34.5333763 34.7759653 35.0722325 36.2630460 36.9203400
37.5008592 38.0218730 38.3210915 38.3834093 38.6903147
39.6090961 40.2856531 41.0276481 41.9651625 42.2360573
42.4667069 42.7914207 44.0208519 44.4881910 44.8148820
45.2354763 45.6796252 46.4127868 47.0367466 47.3930767
48.2426199 48.3749979 49.1177145 49.7418140 50.3698730
50.5519227 50.9275837 51.6807273 51.7032076 52.1089455
53.7726912 53.8404722 54.1083618 54.2407332 54.8232736
55.2739985
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034313 0.0034324 0.0034325 0.0034326 0.0034330
0.0034335 69.4326029 78.5596564 103.1086373 164.1853006
180.2672244 189.0509775 211.8559863 236.4990118 255.4681126
268.2990089 298.2032164 314.3158750 337.0274004 338.9236957
343.1921294 349.9772872 358.5614619 367.5169340 375.2710148
381.5675197 382.3207445 387.4393293 396.9184953 406.1180863
416.1316899 421.2349816 437.2491816 445.4074918 453.2630518
463.0497047 472.2612981 476.3486107 480.5320891 491.3362675
502.0509019 507.8450957 511.6836831 519.9496882 531.5643301
537.4805456 544.0247353 546.5506961 551.5686069 557.7768417
561.4360468 564.5666612 575.1293178 577.1834761 586.4299159
592.0324363 595.8029824 599.7395929 609.1133776 614.0024764
615.1355940 624.1638692 626.4397532 632.9936412 633.6953763
638.1382851 640.3757492 643.0977440 653.9242169 659.8240275
664.9911865 669.5947407 672.2243128 672.7706760 675.4549849
683.4279659 689.2400176 695.5583863 703.4605298 705.7273774
707.6517301 710.3520415 720.4842670 724.2986129 726.9531264
730.3564415 733.9332211 739.7996186 744.7558410 747.5714931
754.2420178 755.2761308 761.0520421 765.8718195 770.6917465
772.0832297 774.9466688 780.6557966 780.8255645 783.8833184
796.2989929 796.8007059 798.7805344 799.7570108 804.0401989
807.3386076
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4684
Rtb_to_modes> Number of blocs = 191
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: 9.9847E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9911E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9914E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9920E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4088
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.5234
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9016
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.286
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.756
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.031
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.806
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.743
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.535
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.104
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.541
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.378
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.633
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 9.741
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.988
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.39
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.90
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.45
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 11.94
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 12.35
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 12.40
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.73
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.36
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.99
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 15.05
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.82
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 17.42
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 18.18
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.91
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 19.24
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 19.58
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 20.47
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 21.37
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 21.87
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 22.20
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 22.93
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.96
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.50
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 25.10
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.33
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 25.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 26.38
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 26.73
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 27.03
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 28.05
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 29.16
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 29.72
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 30.10
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.50
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.46
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.97
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.09
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 33.04
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 33.28
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 33.98
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 34.05
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 34.53
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 34.78
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 35.07
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 36.26
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 36.92
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 37.50
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 38.02
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 38.69
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 39.61
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 40.29
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 41.03
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 41.97
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 42.24
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 42.47
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 42.79
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 44.02
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 44.49
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 44.81
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 45.24
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 45.68
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 46.41
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 47.04
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 47.39
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 48.24
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 48.37
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 49.12
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 49.74
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 50.37
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 50.55
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 50.93
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.68
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 51.70
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 52.11
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.77
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 53.84
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 54.11
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 54.24
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 54.82
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 55.27
Rtb_to_modes> 106 vectors, with 1146 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00001 1.00001
1.00000 1.00000 1.00000 0.99998 1.00002
1.00003 0.99998 1.00000 0.99998 1.00000
1.00003 0.99999 1.00001 0.99999 1.00002
0.99999 0.99999 1.00000 1.00002 1.00004
1.00000 0.99997 0.99998 1.00000 1.00001
0.99996 0.99997 1.00003 1.00001 1.00000
1.00002 1.00000 1.00001 0.99998 0.99998
0.99999 1.00000 0.99997 1.00002 1.00000
0.99997 0.99999 1.00001 1.00003 1.00003
0.99999 1.00002 1.00001 1.00000 1.00000
1.00003 1.00001 1.00001 1.00004 0.99999
1.00001 1.00000 0.99999 0.99997 1.00001
1.00002 1.00000 0.99997 0.99999 0.99997
1.00000 0.99999 0.99998 1.00001 1.00001
0.99998 0.99999 1.00001 1.00000 1.00000
0.99999 1.00000 0.99998 1.00000 1.00000
1.00002 1.00002 0.99999 0.99999 1.00000
0.99998 0.99998 1.00000 1.00000 0.99997
0.99998 1.00002 1.00000 1.00001 1.00000
0.99998 1.00000 0.99999 1.00001 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 84312 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00001 1.00001
1.00000 1.00000 1.00000 0.99998 1.00002
1.00003 0.99998 1.00000 0.99998 1.00000
1.00003 0.99999 1.00001 0.99999 1.00002
0.99999 0.99999 1.00000 1.00002 1.00004
1.00000 0.99997 0.99998 1.00000 1.00001
0.99996 0.99997 1.00003 1.00001 1.00000
1.00002 1.00000 1.00001 0.99998 0.99998
0.99999 1.00000 0.99997 1.00002 1.00000
0.99997 0.99999 1.00001 1.00003 1.00003
0.99999 1.00002 1.00001 1.00000 1.00000
1.00003 1.00001 1.00001 1.00004 0.99999
1.00001 1.00000 0.99999 0.99997 1.00001
1.00002 1.00000 0.99997 0.99999 0.99997
1.00000 0.99999 0.99998 1.00001 1.00001
0.99998 0.99999 1.00001 1.00000 1.00000
0.99999 1.00000 0.99998 1.00000 1.00000
1.00002 1.00002 0.99999 0.99999 1.00000
0.99998 0.99998 1.00000 1.00000 0.99997
0.99998 1.00002 1.00000 1.00001 1.00000
0.99998 1.00000 0.99999 1.00001 1.00001
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000 0.000
Vector 6: 0.000 0.000-0.000-0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000 0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Vector 9:-0.000-0.000-0.000 0.000-0.000 0.000-0.000-0.000
Vector 10:-0.000-0.000-0.000-0.000 0.000 0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401171149191459950.eigenfacs
Openam> file on opening on unit 10:
2401171149191459950.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401171149191459950.atom
Openam> file on opening on unit 11:
2401171149191459950.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 = 571
First residue number = 599
Last residue number = 1205
Number of atoms found = 4684
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: 9.9847E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9911E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9914E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9920E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.031
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 11.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 12.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 12.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 17.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 18.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 19.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 20.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 21.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 22.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 22.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 25.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 25.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 26.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 26.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 27.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 28.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 29.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 29.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 30.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 33.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 33.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 33.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 34.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 34.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 34.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 35.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 36.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 36.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 37.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 38.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 38.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 39.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 40.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 41.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 41.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 42.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 42.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 42.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 44.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 44.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 44.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 45.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 45.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 46.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 47.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 47.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 48.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 48.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 49.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 49.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 50.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 50.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 50.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 51.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 52.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 53.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 54.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 54.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 54.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 55.27
Bfactors> 106 vectors, 14052 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 : 0.408800
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= 0.655 for 571 C-alpha atoms.
Bfactors> = 0.035 +/- 0.03
Bfactors> = 72.966 +/- 10.28
Bfactors> Shiftng-fct= 72.931
Bfactors> Scaling-fct= 325.605
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401171149191459950 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=0
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=100
2401171149191459950.eigenfacs
2401171149191459950.atom
making animated gifs
11 models are in 2401171149191459950.7.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 2401171149191459950.7.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 2401171149191459950.7.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 2401171149191459950 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=0
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=100
2401171149191459950.eigenfacs
2401171149191459950.atom
making animated gifs
11 models are in 2401171149191459950.8.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 2401171149191459950.8.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 2401171149191459950.8.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 2401171149191459950 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=0
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=100
2401171149191459950.eigenfacs
2401171149191459950.atom
making animated gifs
11 models are in 2401171149191459950.9.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 2401171149191459950.9.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 2401171149191459950.9.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 2401171149191459950 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=0
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=100
2401171149191459950.eigenfacs
2401171149191459950.atom
making animated gifs
11 models are in 2401171149191459950.10.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 2401171149191459950.10.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 2401171149191459950.10.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 2401171149191459950 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=-20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=0
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=20
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=40
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=60
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=80
2401171149191459950.eigenfacs
2401171149191459950.atom
calculating perturbed structure for DQ=100
2401171149191459950.eigenfacs
2401171149191459950.atom
making animated gifs
11 models are in 2401171149191459950.11.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 2401171149191459950.11.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 2401171149191459950.11.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
2401171149191459950.10.pdb
2401171149191459950.11.pdb
2401171149191459950.7.pdb
2401171149191459950.8.pdb
2401171149191459950.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m28.087s
user 0m27.994s
sys 0m0.092s
../../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: 2401171149191459950.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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