*** E2P_inhib ***
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 = 2403291345141400712.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 2403291345141400712.atom to be opened.
Openam> File opened: 2403291345141400712.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 = 1448
First residue number = 182
Last residue number = 356
Number of atoms found = 11621
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 138.459681 +/- 11.799389 From: 105.567000 To: 167.369000
= 139.116233 +/- 16.705797 From: 96.550000 To: 181.617000
= 150.866579 +/- 41.709735 From: 65.625000 To: 226.626000
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 0.7361 % Filled.
Pdbmat> 4473267 non-zero elements.
Pdbmat> 489374 atom-atom interactions.
Pdbmat> Number per atom= 84.22 +/- 20.91
Maximum number = 127
Minimum number = 15
Pdbmat> Matrix trace = 9.787480E+06
Pdbmat> Larger element = 511.769
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1448 non-zero elements, NRBL set to 8
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 = 2403291345141400712.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 8
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 2403291345141400712.atom to be opened.
Openam> file on opening on unit 11:
2403291345141400712.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 11621 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 8 residue(s) per block.
Blocpdb> 1448 residues.
Blocpdb> 67 atoms in block 1
Block first atom: 1
Blocpdb> 54 atoms in block 2
Block first atom: 68
Blocpdb> 65 atoms in block 3
Block first atom: 122
Blocpdb> 70 atoms in block 4
Block first atom: 187
Blocpdb> 72 atoms in block 5
Block first atom: 257
Blocpdb> 70 atoms in block 6
Block first atom: 329
Blocpdb> 60 atoms in block 7
Block first atom: 399
Blocpdb> 60 atoms in block 8
Block first atom: 459
Blocpdb> 64 atoms in block 9
Block first atom: 519
Blocpdb> 59 atoms in block 10
Block first atom: 583
Blocpdb> 62 atoms in block 11
Block first atom: 642
Blocpdb> 64 atoms in block 12
Block first atom: 704
Blocpdb> 60 atoms in block 13
Block first atom: 768
Blocpdb> 65 atoms in block 14
Block first atom: 828
Blocpdb> 77 atoms in block 15
Block first atom: 893
Blocpdb> 65 atoms in block 16
Block first atom: 970
Blocpdb> 62 atoms in block 17
Block first atom: 1035
Blocpdb> 56 atoms in block 18
Block first atom: 1097
Blocpdb> 61 atoms in block 19
Block first atom: 1153
Blocpdb> 57 atoms in block 20
Block first atom: 1214
Blocpdb> 67 atoms in block 21
Block first atom: 1271
Blocpdb> 65 atoms in block 22
Block first atom: 1338
Blocpdb> 64 atoms in block 23
Block first atom: 1403
Blocpdb> 58 atoms in block 24
Block first atom: 1467
Blocpdb> 63 atoms in block 25
Block first atom: 1525
Blocpdb> 63 atoms in block 26
Block first atom: 1588
Blocpdb> 64 atoms in block 27
Block first atom: 1651
Blocpdb> 61 atoms in block 28
Block first atom: 1715
Blocpdb> 68 atoms in block 29
Block first atom: 1776
Blocpdb> 60 atoms in block 30
Block first atom: 1844
Blocpdb> 70 atoms in block 31
Block first atom: 1904
Blocpdb> 59 atoms in block 32
Block first atom: 1974
Blocpdb> 61 atoms in block 33
Block first atom: 2033
Blocpdb> 67 atoms in block 34
Block first atom: 2094
Blocpdb> 62 atoms in block 35
Block first atom: 2161
Blocpdb> 55 atoms in block 36
Block first atom: 2223
Blocpdb> 58 atoms in block 37
Block first atom: 2278
Blocpdb> 66 atoms in block 38
Block first atom: 2336
Blocpdb> 65 atoms in block 39
Block first atom: 2402
Blocpdb> 75 atoms in block 40
Block first atom: 2467
Blocpdb> 61 atoms in block 41
Block first atom: 2542
Blocpdb> 65 atoms in block 42
Block first atom: 2603
Blocpdb> 74 atoms in block 43
Block first atom: 2668
Blocpdb> 66 atoms in block 44
Block first atom: 2742
Blocpdb> 61 atoms in block 45
Block first atom: 2808
Blocpdb> 61 atoms in block 46
Block first atom: 2869
Blocpdb> 67 atoms in block 47
Block first atom: 2930
Blocpdb> 17 atoms in block 48
Block first atom: 2997
Blocpdb> 61 atoms in block 49
Block first atom: 3014
Blocpdb> 63 atoms in block 50
Block first atom: 3075
Blocpdb> 61 atoms in block 51
Block first atom: 3138
Blocpdb> 62 atoms in block 52
Block first atom: 3199
Blocpdb> 59 atoms in block 53
Block first atom: 3261
Blocpdb> 71 atoms in block 54
Block first atom: 3320
Blocpdb> 64 atoms in block 55
Block first atom: 3391
Blocpdb> 62 atoms in block 56
Block first atom: 3455
Blocpdb> 62 atoms in block 57
Block first atom: 3517
Blocpdb> 65 atoms in block 58
Block first atom: 3579
Blocpdb> 62 atoms in block 59
Block first atom: 3644
Blocpdb> 53 atoms in block 60
Block first atom: 3706
Blocpdb> 50 atoms in block 61
Block first atom: 3759
Blocpdb> 71 atoms in block 62
Block first atom: 3809
Blocpdb> 59 atoms in block 63
Block first atom: 3880
Blocpdb> 64 atoms in block 64
Block first atom: 3939
Blocpdb> 68 atoms in block 65
Block first atom: 4003
Blocpdb> 72 atoms in block 66
Block first atom: 4071
Blocpdb> 67 atoms in block 67
Block first atom: 4143
Blocpdb> 60 atoms in block 68
Block first atom: 4210
Blocpdb> 56 atoms in block 69
Block first atom: 4270
Blocpdb> 66 atoms in block 70
Block first atom: 4326
Blocpdb> 68 atoms in block 71
Block first atom: 4392
Blocpdb> 67 atoms in block 72
Block first atom: 4460
Blocpdb> 57 atoms in block 73
Block first atom: 4527
Blocpdb> 63 atoms in block 74
Block first atom: 4584
Blocpdb> 78 atoms in block 75
Block first atom: 4647
Blocpdb> 57 atoms in block 76
Block first atom: 4725
Blocpdb> 67 atoms in block 77
Block first atom: 4782
Blocpdb> 60 atoms in block 78
Block first atom: 4849
Blocpdb> 53 atoms in block 79
Block first atom: 4909
Blocpdb> 63 atoms in block 80
Block first atom: 4962
Blocpdb> 63 atoms in block 81
Block first atom: 5025
Blocpdb> 66 atoms in block 82
Block first atom: 5088
Blocpdb> 63 atoms in block 83
Block first atom: 5154
Blocpdb> 54 atoms in block 84
Block first atom: 5217
Blocpdb> 64 atoms in block 85
Block first atom: 5271
Blocpdb> 66 atoms in block 86
Block first atom: 5335
Blocpdb> 69 atoms in block 87
Block first atom: 5401
Blocpdb> 63 atoms in block 88
Block first atom: 5470
Blocpdb> 67 atoms in block 89
Block first atom: 5533
Blocpdb> 59 atoms in block 90
Block first atom: 5600
Blocpdb> 58 atoms in block 91
Block first atom: 5659
Blocpdb> 63 atoms in block 92
Block first atom: 5717
Blocpdb> 64 atoms in block 93
Block first atom: 5780
Blocpdb> 58 atoms in block 94
Block first atom: 5844
Blocpdb> 59 atoms in block 95
Block first atom: 5902
Blocpdb> 67 atoms in block 96
Block first atom: 5961
Blocpdb> 55 atoms in block 97
Block first atom: 6028
Blocpdb> 50 atoms in block 98
Block first atom: 6083
Blocpdb> 56 atoms in block 99
Block first atom: 6133
Blocpdb> 50 atoms in block 100
Block first atom: 6189
Blocpdb> 57 atoms in block 101
Block first atom: 6239
Blocpdb> 64 atoms in block 102
Block first atom: 6296
Blocpdb> 67 atoms in block 103
Block first atom: 6360
Blocpdb> 70 atoms in block 104
Block first atom: 6427
Blocpdb> 63 atoms in block 105
Block first atom: 6497
Blocpdb> 69 atoms in block 106
Block first atom: 6560
Blocpdb> 76 atoms in block 107
Block first atom: 6629
Blocpdb> 57 atoms in block 108
Block first atom: 6705
Blocpdb> 69 atoms in block 109
Block first atom: 6762
Blocpdb> 78 atoms in block 110
Block first atom: 6831
Blocpdb> 62 atoms in block 111
Block first atom: 6909
Blocpdb> 66 atoms in block 112
Block first atom: 6971
Blocpdb> 76 atoms in block 113
Block first atom: 7037
Blocpdb> 63 atoms in block 114
Block first atom: 7113
Blocpdb> 73 atoms in block 115
Block first atom: 7176
Blocpdb> 74 atoms in block 116
Block first atom: 7249
Blocpdb> 56 atoms in block 117
Block first atom: 7323
Blocpdb> 74 atoms in block 118
Block first atom: 7379
Blocpdb> 60 atoms in block 119
Block first atom: 7453
Blocpdb> 68 atoms in block 120
Block first atom: 7513
Blocpdb> 61 atoms in block 121
Block first atom: 7581
Blocpdb> 54 atoms in block 122
Block first atom: 7642
Blocpdb> 72 atoms in block 123
Block first atom: 7696
Blocpdb> 53 atoms in block 124
Block first atom: 7768
Blocpdb> 79 atoms in block 125
Block first atom: 7821
Blocpdb> 64 atoms in block 126
Block first atom: 7900
Blocpdb> 69 atoms in block 127
Block first atom: 7964
Blocpdb> 68 atoms in block 128
Block first atom: 8033
Blocpdb> 61 atoms in block 129
Block first atom: 8101
Blocpdb> 62 atoms in block 130
Block first atom: 8162
Blocpdb> 76 atoms in block 131
Block first atom: 8224
Blocpdb> 80 atoms in block 132
Block first atom: 8300
Blocpdb> 28 atoms in block 133
Block first atom: 8380
Blocpdb> 68 atoms in block 134
Block first atom: 8408
Blocpdb> 71 atoms in block 135
Block first atom: 8476
Blocpdb> 72 atoms in block 136
Block first atom: 8547
Blocpdb> 58 atoms in block 137
Block first atom: 8619
Blocpdb> 65 atoms in block 138
Block first atom: 8677
Blocpdb> 67 atoms in block 139
Block first atom: 8742
Blocpdb> 64 atoms in block 140
Block first atom: 8809
Blocpdb> 11 atoms in block 141
Block first atom: 8873
Blocpdb> 58 atoms in block 142
Block first atom: 8884
Blocpdb> 73 atoms in block 143
Block first atom: 8942
Blocpdb> 68 atoms in block 144
Block first atom: 9015
Blocpdb> 63 atoms in block 145
Block first atom: 9083
Blocpdb> 59 atoms in block 146
Block first atom: 9146
Blocpdb> 50 atoms in block 147
Block first atom: 9205
Blocpdb> 63 atoms in block 148
Block first atom: 9255
Blocpdb> 66 atoms in block 149
Block first atom: 9318
Blocpdb> 58 atoms in block 150
Block first atom: 9384
Blocpdb> 74 atoms in block 151
Block first atom: 9442
Blocpdb> 69 atoms in block 152
Block first atom: 9516
Blocpdb> 74 atoms in block 153
Block first atom: 9585
Blocpdb> 59 atoms in block 154
Block first atom: 9659
Blocpdb> 69 atoms in block 155
Block first atom: 9718
Blocpdb> 67 atoms in block 156
Block first atom: 9787
Blocpdb> 79 atoms in block 157
Block first atom: 9854
Blocpdb> 77 atoms in block 158
Block first atom: 9933
Blocpdb> 66 atoms in block 159
Block first atom: 10010
Blocpdb> 62 atoms in block 160
Block first atom: 10076
Blocpdb> 56 atoms in block 161
Block first atom: 10138
Blocpdb> 70 atoms in block 162
Block first atom: 10194
Blocpdb> 58 atoms in block 163
Block first atom: 10264
Blocpdb> 65 atoms in block 164
Block first atom: 10322
Blocpdb> 58 atoms in block 165
Block first atom: 10387
Blocpdb> 67 atoms in block 166
Block first atom: 10445
Blocpdb> 69 atoms in block 167
Block first atom: 10512
Blocpdb> 75 atoms in block 168
Block first atom: 10581
Blocpdb> 61 atoms in block 169
Block first atom: 10656
Blocpdb> 74 atoms in block 170
Block first atom: 10717
Blocpdb> 63 atoms in block 171
Block first atom: 10791
Blocpdb> 71 atoms in block 172
Block first atom: 10854
Blocpdb> 76 atoms in block 173
Block first atom: 10925
Blocpdb> 69 atoms in block 174
Block first atom: 11001
Blocpdb> 60 atoms in block 175
Block first atom: 11070
Blocpdb> 64 atoms in block 176
Block first atom: 11130
Blocpdb> 68 atoms in block 177
Block first atom: 11194
Blocpdb> 57 atoms in block 178
Block first atom: 11262
Blocpdb> 58 atoms in block 179
Block first atom: 11319
Blocpdb> 54 atoms in block 180
Block first atom: 11377
Blocpdb> 62 atoms in block 181
Block first atom: 11431
Blocpdb> 51 atoms in block 182
Block first atom: 11493
Blocpdb> 67 atoms in block 183
Block first atom: 11544
Blocpdb> 11 atoms in block 184
Block first atom: 11610
Blocpdb> 184 blocks.
Blocpdb> At most, 80 atoms in each of them.
Blocpdb> At least, 11 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> 4473451 matrix lines read.
Prepmat> Matrix order = 34863
Prepmat> Matrix trace = 9787480.0000
Prepmat> Last element read: 34863 34863 124.6764
Prepmat> 17021 lines saved.
Prepmat> 15505 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: 11621
RTB> Total mass = 11621.0000
RTB> Number of atoms found in matrix: 11621
RTB> Number of blocks = 184
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 191958.2286
RTB> 51780 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 = 1104
Diagstd> Nb of non-zero elements: 51780
Diagstd> Projected matrix trace = 191958.2286
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1104 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 191958.2286
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 0.2091870 0.2571761 0.3130296 0.9952627
1.2090668 1.6130987 1.7016910 1.9152849 2.2066605
2.9281627 3.7603573 4.1100372 4.5875482 4.6862809
5.2331163 5.3321139 5.8124055 5.8571175 6.7490511
6.8467155 7.4958995 7.5534167 7.9838142 8.3791462
9.0587248 9.1418271 9.8977817 10.1100290 10.3831867
10.7965637 11.2783555 12.1051135 12.4476156 13.1757918
13.5372595 13.8062772 14.0760843 14.3119354 14.5049366
15.2194687 15.7880078 16.0759275 16.1174147 16.9805385
17.3903025 17.8917501 17.9750791 18.9381068 19.2681830
19.6539239 20.1735368 20.3534117 20.4910755 21.3613912
21.9138781 22.2098162 22.4678305 22.8973871 23.3515143
23.8209507 24.3657061 24.9788239 25.6269812 25.7508577
26.3326440 26.9206726 27.1696518 27.4079307 28.0812426
28.3667292 28.6644422 29.3306881 29.6491020 29.8481809
29.9252263 30.2810353 30.7541206 31.0754626 31.3370626
31.5671376 32.0551409 32.2463292 32.5744153 32.8498072
33.6947326 33.8746459 34.5247336 35.0816541 35.3570247
35.4555253 35.6172468 35.8153856 36.4595760 36.7440426
37.1345379 37.5982480 37.8418044 38.1908525 38.6008856
38.9481860
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034321 0.0034335 0.0034337 0.0034338
0.0034345 49.6663912 55.0694274 60.7558351 108.3338402
119.4044260 137.9195229 141.6562127 150.2837339 161.3106486
185.8201836 210.5764682 220.1497305 232.5870869 235.0766205
248.4136607 250.7523378 261.8021636 262.8071924 282.1088039
284.1426472 297.3083855 298.4468514 306.8318873 314.3367539
326.8351925 328.3309189 341.6364613 345.2800460 349.9134298
356.8108534 364.6852269 377.8154495 383.1231236 394.1700676
399.5403610 403.4907426 407.4142451 410.8132704 413.5739707
423.6381136 431.4782869 435.3948623 435.9563118 447.4773011
452.8442399 459.3267008 460.3950926 472.5671850 476.6676305
481.4153293 487.7376740 489.9072758 491.5612697 501.8917384
508.3407219 511.7616787 514.7256965 519.6228536 524.7504316
529.9987259 536.0246734 542.7268067 549.7231229 551.0501559
557.2402959 563.4277506 566.0272201 568.5038421 575.4444969
578.3622136 581.3892907 588.1070780 591.2907052 593.2724950
594.0376923 597.5587910 602.2085768 605.3465641 607.8891934
610.1166568 614.8145338 616.6452950 619.7743447 622.3886912
630.3420610 632.0226787 638.0584264 643.1841171 645.7034937
646.6022963 648.0752753 649.8753970 655.6938153 658.2467871
661.7352844 665.8541091 668.0072850 671.0810210 674.6739080
677.7022038
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 11621
Rtb_to_modes> Number of blocs = 184
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: 9.9883E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9889E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2092
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2572
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3130
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.9953
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.209
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.613
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.702
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.915
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.207
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.928
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.760
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.110
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.588
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.686
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.233
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.332
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.812
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.857
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.749
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.847
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.496
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.553
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.984
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.379
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.059
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.142
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 9.898
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.11
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.38
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.80
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.28
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 12.11
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 12.45
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 13.18
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 13.54
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 13.81
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 14.08
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 14.31
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 15.22
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 15.79
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 16.08
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 16.12
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 16.98
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 17.39
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 17.98
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 18.94
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 19.27
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 19.65
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 20.17
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 20.35
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 20.49
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 21.91
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 22.21
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 22.47
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.90
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 23.82
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 24.37
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 24.98
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.63
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 25.75
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 26.33
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 26.92
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 27.17
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 27.41
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 28.08
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 28.37
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.66
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 29.33
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 29.65
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 29.85
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 29.93
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 30.28
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 31.34
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 31.57
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 32.06
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 32.25
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 32.57
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 32.85
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 33.69
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 33.87
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 34.52
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 35.08
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 35.36
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 35.46
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 35.62
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 35.82
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 36.74
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 37.13
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 37.60
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 38.19
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 38.60
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 38.95
Rtb_to_modes> 106 vectors, with 1104 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 0.99999 1.00000 1.00000 0.99999
0.99999 1.00000 0.99998 1.00000 1.00000
1.00001 1.00002 1.00000 1.00004 0.99998
1.00001 1.00000 0.99998 1.00003 1.00001
0.99999 1.00001 1.00001 0.99999 1.00001
1.00000 0.99998 1.00000 0.99999 0.99997
1.00000 0.99998 1.00000 1.00001 1.00000
0.99999 0.99999 1.00003 1.00002 1.00002
0.99995 1.00000 0.99998 1.00001 1.00005
1.00002 0.99998 1.00000 1.00001 1.00000
0.99998 0.99999 1.00001 1.00000 1.00000
0.99999 0.99998 0.99997 1.00000 1.00000
1.00000 1.00000 1.00001 0.99999 1.00000
1.00002 0.99999 1.00000 1.00000 1.00000
1.00000 1.00001 1.00001 1.00001 1.00000
1.00003 1.00002 1.00000 1.00002 1.00001
1.00000 1.00001 0.99998 1.00001 1.00001
0.99999 0.99997 1.00002 0.99999 0.99999
0.99999 1.00000 1.00003 1.00001 1.00001
1.00000 0.99999 1.00002 0.99999 1.00001
1.00000 1.00000 0.99999 0.99999 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 209178 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 0.99999 1.00000 1.00000 0.99999
0.99999 1.00000 0.99998 1.00000 1.00000
1.00001 1.00002 1.00000 1.00004 0.99998
1.00001 1.00000 0.99998 1.00003 1.00001
0.99999 1.00001 1.00001 0.99999 1.00001
1.00000 0.99998 1.00000 0.99999 0.99997
1.00000 0.99998 1.00000 1.00001 1.00000
0.99999 0.99999 1.00003 1.00002 1.00002
0.99995 1.00000 0.99998 1.00001 1.00005
1.00002 0.99998 1.00000 1.00001 1.00000
0.99998 0.99999 1.00001 1.00000 1.00000
0.99999 0.99998 0.99997 1.00000 1.00000
1.00000 1.00000 1.00001 0.99999 1.00000
1.00002 0.99999 1.00000 1.00000 1.00000
1.00000 1.00001 1.00001 1.00001 1.00000
1.00003 1.00002 1.00000 1.00002 1.00001
1.00000 1.00001 0.99998 1.00001 1.00001
0.99999 0.99997 1.00002 0.99999 0.99999
0.99999 1.00000 1.00003 1.00001 1.00001
1.00000 0.99999 1.00002 0.99999 1.00001
1.00000 1.00000 0.99999 0.99999 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> 2403291345141400712.eigenfacs
Openam> file on opening on unit 10:
2403291345141400712.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403291345141400712.atom
Openam> file on opening on unit 11:
2403291345141400712.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 = 1448
First residue number = 182
Last residue number = 356
Number of atoms found = 11621
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9889E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.686
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 12.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 12.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 16.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 19.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 19.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 20.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 20.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 22.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 22.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 23.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 24.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 24.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 25.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 26.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 26.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 27.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 27.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 28.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 28.37
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: 29.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 29.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 29.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 29.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 30.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 31.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 31.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 32.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 32.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 32.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 32.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 33.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 33.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 34.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 35.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 35.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 35.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 35.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 35.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 36.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 37.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 37.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 38.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 38.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 38.95
Bfactors> 106 vectors, 34863 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 : 0.209200
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= 0.685 for 1448 C-alpha atoms.
Bfactors> = 0.029 +/- 0.02
Bfactors> = 73.920 +/- 22.31
Bfactors> Shiftng-fct= 73.891
Bfactors> Scaling-fct= 1061.539
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403291345141400712 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=0
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=100
2403291345141400712.eigenfacs
2403291345141400712.atom
making animated gifs
11 models are in 2403291345141400712.7.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 2403291345141400712.7.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 2403291345141400712.7.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 2403291345141400712 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=0
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=100
2403291345141400712.eigenfacs
2403291345141400712.atom
making animated gifs
11 models are in 2403291345141400712.8.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 2403291345141400712.8.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 2403291345141400712.8.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 2403291345141400712 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=0
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=100
2403291345141400712.eigenfacs
2403291345141400712.atom
making animated gifs
11 models are in 2403291345141400712.9.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 2403291345141400712.9.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 2403291345141400712.9.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 2403291345141400712 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=0
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=100
2403291345141400712.eigenfacs
2403291345141400712.atom
making animated gifs
11 models are in 2403291345141400712.10.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 2403291345141400712.10.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 2403291345141400712.10.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 2403291345141400712 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=-20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=0
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=20
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=40
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=60
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=80
2403291345141400712.eigenfacs
2403291345141400712.atom
calculating perturbed structure for DQ=100
2403291345141400712.eigenfacs
2403291345141400712.atom
making animated gifs
11 models are in 2403291345141400712.11.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 2403291345141400712.11.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 2403291345141400712.11.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
2403291345141400712.10.pdb
2403291345141400712.11.pdb
2403291345141400712.7.pdb
2403291345141400712.8.pdb
2403291345141400712.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m3.719s
user 1m3.425s
sys 0m0.204s
../../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: 2403291345141400712.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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