*** IMMUNE SYSTEM 28-APR-21 7MLM ***
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 = 2403091708342514661.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 2403091708342514661.atom to be opened.
Openam> File opened: 2403091708342514661.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 = 590
First residue number = 27
Last residue number = 618
Number of atoms found = 4711
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 18.363138 +/- 10.108482 From: -10.169000 To: 41.956000
= -12.167387 +/- 22.439394 From: -54.156000 To: 44.412000
= -30.382441 +/- 18.735108 From: -74.550000 To: 5.668000
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 1.8190 % Filled.
Pdbmat> 1816818 non-zero elements.
Pdbmat> 198763 atom-atom interactions.
Pdbmat> Number per atom= 84.38 +/- 20.56
Maximum number = 128
Minimum number = 9
Pdbmat> Matrix trace = 3.975260E+06
Pdbmat> Larger element = 509.009
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
590 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 = 2403091708342514661.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 2403091708342514661.atom to be opened.
Openam> file on opening on unit 11:
2403091708342514661.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4711 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> 590 residues.
Blocpdb> 21 atoms in block 1
Block first atom: 1
Blocpdb> 23 atoms in block 2
Block first atom: 22
Blocpdb> 23 atoms in block 3
Block first atom: 45
Blocpdb> 28 atoms in block 4
Block first atom: 68
Blocpdb> 22 atoms in block 5
Block first atom: 96
Blocpdb> 26 atoms in block 6
Block first atom: 118
Blocpdb> 22 atoms in block 7
Block first atom: 144
Blocpdb> 23 atoms in block 8
Block first atom: 166
Blocpdb> 21 atoms in block 9
Block first atom: 189
Blocpdb> 22 atoms in block 10
Block first atom: 210
Blocpdb> 24 atoms in block 11
Block first atom: 232
Blocpdb> 25 atoms in block 12
Block first atom: 256
Blocpdb> 23 atoms in block 13
Block first atom: 281
Blocpdb> 25 atoms in block 14
Block first atom: 304
Blocpdb> 27 atoms in block 15
Block first atom: 329
Blocpdb> 23 atoms in block 16
Block first atom: 356
Blocpdb> 25 atoms in block 17
Block first atom: 379
Blocpdb> 26 atoms in block 18
Block first atom: 404
Blocpdb> 30 atoms in block 19
Block first atom: 430
Blocpdb> 25 atoms in block 20
Block first atom: 460
Blocpdb> 23 atoms in block 21
Block first atom: 485
Blocpdb> 24 atoms in block 22
Block first atom: 508
Blocpdb> 26 atoms in block 23
Block first atom: 532
Blocpdb> 29 atoms in block 24
Block first atom: 558
Blocpdb> 22 atoms in block 25
Block first atom: 587
Blocpdb> 24 atoms in block 26
Block first atom: 609
Blocpdb> 24 atoms in block 27
Block first atom: 633
Blocpdb> 19 atoms in block 28
Block first atom: 657
Blocpdb> 23 atoms in block 29
Block first atom: 676
Blocpdb> 26 atoms in block 30
Block first atom: 699
Blocpdb> 17 atoms in block 31
Block first atom: 725
Blocpdb> 23 atoms in block 32
Block first atom: 742
Blocpdb> 19 atoms in block 33
Block first atom: 765
Blocpdb> 23 atoms in block 34
Block first atom: 784
Blocpdb> 23 atoms in block 35
Block first atom: 807
Blocpdb> 21 atoms in block 36
Block first atom: 830
Blocpdb> 24 atoms in block 37
Block first atom: 851
Blocpdb> 19 atoms in block 38
Block first atom: 875
Blocpdb> 26 atoms in block 39
Block first atom: 894
Blocpdb> 19 atoms in block 40
Block first atom: 920
Blocpdb> 25 atoms in block 41
Block first atom: 939
Blocpdb> 24 atoms in block 42
Block first atom: 964
Blocpdb> 25 atoms in block 43
Block first atom: 988
Blocpdb> 22 atoms in block 44
Block first atom: 1013
Blocpdb> 27 atoms in block 45
Block first atom: 1035
Blocpdb> 22 atoms in block 46
Block first atom: 1062
Blocpdb> 24 atoms in block 47
Block first atom: 1084
Blocpdb> 28 atoms in block 48
Block first atom: 1108
Blocpdb> 22 atoms in block 49
Block first atom: 1136
Blocpdb> 23 atoms in block 50
Block first atom: 1158
Blocpdb> 24 atoms in block 51
Block first atom: 1181
Blocpdb> 22 atoms in block 52
Block first atom: 1205
Blocpdb> 32 atoms in block 53
Block first atom: 1227
Blocpdb> 24 atoms in block 54
Block first atom: 1259
Blocpdb> 22 atoms in block 55
Block first atom: 1283
Blocpdb> 24 atoms in block 56
Block first atom: 1305
Blocpdb> 28 atoms in block 57
Block first atom: 1329
Blocpdb> 28 atoms in block 58
Block first atom: 1357
Blocpdb> 23 atoms in block 59
Block first atom: 1385
Blocpdb> 22 atoms in block 60
Block first atom: 1408
Blocpdb> 24 atoms in block 61
Block first atom: 1430
Blocpdb> 22 atoms in block 62
Block first atom: 1454
Blocpdb> 23 atoms in block 63
Block first atom: 1476
Blocpdb> 28 atoms in block 64
Block first atom: 1499
Blocpdb> 22 atoms in block 65
Block first atom: 1527
Blocpdb> 24 atoms in block 66
Block first atom: 1549
Blocpdb> 25 atoms in block 67
Block first atom: 1573
Blocpdb> 27 atoms in block 68
Block first atom: 1598
Blocpdb> 26 atoms in block 69
Block first atom: 1625
Blocpdb> 23 atoms in block 70
Block first atom: 1651
Blocpdb> 20 atoms in block 71
Block first atom: 1674
Blocpdb> 24 atoms in block 72
Block first atom: 1694
Blocpdb> 22 atoms in block 73
Block first atom: 1718
Blocpdb> 25 atoms in block 74
Block first atom: 1740
Blocpdb> 17 atoms in block 75
Block first atom: 1765
Blocpdb> 25 atoms in block 76
Block first atom: 1782
Blocpdb> 29 atoms in block 77
Block first atom: 1807
Blocpdb> 20 atoms in block 78
Block first atom: 1836
Blocpdb> 29 atoms in block 79
Block first atom: 1856
Blocpdb> 28 atoms in block 80
Block first atom: 1885
Blocpdb> 25 atoms in block 81
Block first atom: 1913
Blocpdb> 28 atoms in block 82
Block first atom: 1938
Blocpdb> 21 atoms in block 83
Block first atom: 1966
Blocpdb> 21 atoms in block 84
Block first atom: 1987
Blocpdb> 22 atoms in block 85
Block first atom: 2008
Blocpdb> 22 atoms in block 86
Block first atom: 2030
Blocpdb> 28 atoms in block 87
Block first atom: 2052
Blocpdb> 26 atoms in block 88
Block first atom: 2080
Blocpdb> 27 atoms in block 89
Block first atom: 2106
Blocpdb> 25 atoms in block 90
Block first atom: 2133
Blocpdb> 24 atoms in block 91
Block first atom: 2158
Blocpdb> 27 atoms in block 92
Block first atom: 2182
Blocpdb> 24 atoms in block 93
Block first atom: 2209
Blocpdb> 20 atoms in block 94
Block first atom: 2233
Blocpdb> 19 atoms in block 95
Block first atom: 2253
Blocpdb> 19 atoms in block 96
Block first atom: 2272
Blocpdb> 17 atoms in block 97
Block first atom: 2291
Blocpdb> 29 atoms in block 98
Block first atom: 2308
Blocpdb> 25 atoms in block 99
Block first atom: 2337
Blocpdb> 23 atoms in block 100
Block first atom: 2362
Blocpdb> 30 atoms in block 101
Block first atom: 2385
Blocpdb> 29 atoms in block 102
Block first atom: 2415
Blocpdb> 22 atoms in block 103
Block first atom: 2444
Blocpdb> 25 atoms in block 104
Block first atom: 2466
Blocpdb> 26 atoms in block 105
Block first atom: 2491
Blocpdb> 27 atoms in block 106
Block first atom: 2517
Blocpdb> 23 atoms in block 107
Block first atom: 2544
Blocpdb> 26 atoms in block 108
Block first atom: 2567
Blocpdb> 23 atoms in block 109
Block first atom: 2593
Blocpdb> 23 atoms in block 110
Block first atom: 2616
Blocpdb> 23 atoms in block 111
Block first atom: 2639
Blocpdb> 19 atoms in block 112
Block first atom: 2662
Blocpdb> 25 atoms in block 113
Block first atom: 2681
Blocpdb> 25 atoms in block 114
Block first atom: 2706
Blocpdb> 20 atoms in block 115
Block first atom: 2731
Blocpdb> 20 atoms in block 116
Block first atom: 2751
Blocpdb> 28 atoms in block 117
Block first atom: 2771
Blocpdb> 33 atoms in block 118
Block first atom: 2799
Blocpdb> 21 atoms in block 119
Block first atom: 2832
Blocpdb> 23 atoms in block 120
Block first atom: 2853
Blocpdb> 16 atoms in block 121
Block first atom: 2876
Blocpdb> 24 atoms in block 122
Block first atom: 2892
Blocpdb> 20 atoms in block 123
Block first atom: 2916
Blocpdb> 21 atoms in block 124
Block first atom: 2936
Blocpdb> 29 atoms in block 125
Block first atom: 2957
Blocpdb> 24 atoms in block 126
Block first atom: 2986
Blocpdb> 25 atoms in block 127
Block first atom: 3010
Blocpdb> 17 atoms in block 128
Block first atom: 3035
Blocpdb> 22 atoms in block 129
Block first atom: 3052
Blocpdb> 24 atoms in block 130
Block first atom: 3074
Blocpdb> 20 atoms in block 131
Block first atom: 3098
Blocpdb> 26 atoms in block 132
Block first atom: 3118
Blocpdb> 27 atoms in block 133
Block first atom: 3144
Blocpdb> 28 atoms in block 134
Block first atom: 3171
Blocpdb> 23 atoms in block 135
Block first atom: 3199
Blocpdb> 28 atoms in block 136
Block first atom: 3222
Blocpdb> 23 atoms in block 137
Block first atom: 3250
Blocpdb> 22 atoms in block 138
Block first atom: 3273
Blocpdb> 25 atoms in block 139
Block first atom: 3295
Blocpdb> 26 atoms in block 140
Block first atom: 3320
Blocpdb> 28 atoms in block 141
Block first atom: 3346
Blocpdb> 24 atoms in block 142
Block first atom: 3374
Blocpdb> 25 atoms in block 143
Block first atom: 3398
Blocpdb> 24 atoms in block 144
Block first atom: 3423
Blocpdb> 27 atoms in block 145
Block first atom: 3447
Blocpdb> 20 atoms in block 146
Block first atom: 3474
Blocpdb> 23 atoms in block 147
Block first atom: 3494
Blocpdb> 21 atoms in block 148
Block first atom: 3517
Blocpdb> 23 atoms in block 149
Block first atom: 3538
Blocpdb> 25 atoms in block 150
Block first atom: 3561
Blocpdb> 17 atoms in block 151
Block first atom: 3586
Blocpdb> 26 atoms in block 152
Block first atom: 3603
Blocpdb> 23 atoms in block 153
Block first atom: 3629
Blocpdb> 22 atoms in block 154
Block first atom: 3652
Blocpdb> 23 atoms in block 155
Block first atom: 3674
Blocpdb> 22 atoms in block 156
Block first atom: 3697
Blocpdb> 23 atoms in block 157
Block first atom: 3719
Blocpdb> 27 atoms in block 158
Block first atom: 3742
Blocpdb> 23 atoms in block 159
Block first atom: 3769
Blocpdb> 23 atoms in block 160
Block first atom: 3792
Blocpdb> 26 atoms in block 161
Block first atom: 3815
Blocpdb> 24 atoms in block 162
Block first atom: 3841
Blocpdb> 26 atoms in block 163
Block first atom: 3865
Blocpdb> 25 atoms in block 164
Block first atom: 3891
Blocpdb> 28 atoms in block 165
Block first atom: 3916
Blocpdb> 24 atoms in block 166
Block first atom: 3944
Blocpdb> 24 atoms in block 167
Block first atom: 3968
Blocpdb> 24 atoms in block 168
Block first atom: 3992
Blocpdb> 27 atoms in block 169
Block first atom: 4016
Blocpdb> 20 atoms in block 170
Block first atom: 4043
Blocpdb> 30 atoms in block 171
Block first atom: 4063
Blocpdb> 29 atoms in block 172
Block first atom: 4093
Blocpdb> 23 atoms in block 173
Block first atom: 4122
Blocpdb> 22 atoms in block 174
Block first atom: 4145
Blocpdb> 23 atoms in block 175
Block first atom: 4167
Blocpdb> 25 atoms in block 176
Block first atom: 4190
Blocpdb> 22 atoms in block 177
Block first atom: 4215
Blocpdb> 19 atoms in block 178
Block first atom: 4237
Blocpdb> 27 atoms in block 179
Block first atom: 4256
Blocpdb> 26 atoms in block 180
Block first atom: 4283
Blocpdb> 23 atoms in block 181
Block first atom: 4309
Blocpdb> 31 atoms in block 182
Block first atom: 4332
Blocpdb> 25 atoms in block 183
Block first atom: 4363
Blocpdb> 29 atoms in block 184
Block first atom: 4388
Blocpdb> 20 atoms in block 185
Block first atom: 4417
Blocpdb> 24 atoms in block 186
Block first atom: 4437
Blocpdb> 28 atoms in block 187
Block first atom: 4461
Blocpdb> 25 atoms in block 188
Block first atom: 4489
Blocpdb> 30 atoms in block 189
Block first atom: 4514
Blocpdb> 23 atoms in block 190
Block first atom: 4544
Blocpdb> 27 atoms in block 191
Block first atom: 4567
Blocpdb> 19 atoms in block 192
Block first atom: 4594
Blocpdb> 20 atoms in block 193
Block first atom: 4613
Blocpdb> 6 atoms in block 194
Block first atom: 4633
Blocpdb> 20 atoms in block 195
Block first atom: 4639
Blocpdb> 24 atoms in block 196
Block first atom: 4659
Blocpdb> 22 atoms in block 197
Block first atom: 4683
Blocpdb> 7 atoms in block 198
Block first atom: 4704
Blocpdb> 198 blocks.
Blocpdb> At most, 33 atoms in each of them.
Blocpdb> At least, 6 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> 1817016 matrix lines read.
Prepmat> Matrix order = 14133
Prepmat> Matrix trace = 3975260.0000
Prepmat> Last element read: 14133 14133 154.1843
Prepmat> 19702 lines saved.
Prepmat> 17807 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: 4711
RTB> Total mass = 4711.0000
RTB> Number of atoms found in matrix: 4711
RTB> Number of blocks = 198
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 265454.3609
RTB> 65214 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 = 1188
Diagstd> Nb of non-zero elements: 65214
Diagstd> Projected matrix trace = 265454.3609
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1188 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 265454.3609
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 0.0615901 0.1479130 0.3666772 0.5471322
1.1808495 1.3725436 2.2757517 3.2689302 3.7805265
4.2194120 5.1587609 6.3598706 6.6744936 7.5168165
8.3937937 10.4892732 10.8357471 12.0413866 12.1353778
14.6585296 15.2380648 15.9007407 17.2298332 18.3866679
19.0668257 19.6278183 21.6253110 22.6755476 23.2330195
23.6353165 24.6944812 25.3709353 25.8690800 26.5284478
27.2386546 28.3035058 28.4446623 29.7781939 30.1966177
30.8125870 31.6081324 32.3516872 32.7208285 33.6512021
33.8929407 35.0654768 35.2797844 35.6789873 35.8719631
36.6763773 36.7276788 37.7987057 38.6272420 38.8261571
39.1659817 39.2869648 39.4738557 40.5557325 41.1011259
41.4892066 41.8107234 42.1513683 42.5257959 43.0646277
43.9672060 44.6971847 44.7900508 45.2137306 45.8377181
46.3967816 46.4658342 47.5573393 48.0517312 48.2512224
49.1812570 49.5165575 50.0918864 50.3417630 50.6308897
51.3798946 51.9208364 52.8137240 53.4845159 53.5500316
54.1627447 54.4921847 55.1584135 55.9878145 56.8023945
57.1913587 57.4189549 57.9459760 58.3836401 58.5607212
58.8942557 59.5116257 59.8996083 59.9726255 61.3410174
61.8477539
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034329 0.0034332 0.0034334 0.0034336
0.0034336 26.9494950 41.7636456 65.7562800 80.3232802
118.0028676 127.2208667 163.8165274 196.3351697 211.1404394
223.0597687 246.6425368 273.8542096 280.5462326 297.7229100
314.6113781 351.6964446 357.4577436 376.8196400 378.2874472
415.7578752 423.8968494 433.0160140 450.7500839 465.6362639
474.1704423 481.0955001 504.9826544 517.0995644 523.4173428
527.9295746 539.6289411 546.9700158 552.3136439 559.3082179
566.7455345 577.7173310 579.1561490 592.5765446 596.7252714
602.7807321 610.5126938 617.6518514 621.1656418 629.9347573
632.1933247 643.0358031 644.9978125 648.6367334 650.3884985
657.6404172 658.1001974 667.6267734 674.9041995 676.6397139
679.5943953 680.6432147 682.2602281 691.5465282 696.1809568
699.4599382 702.1649081 705.0194832 708.1438786 712.6160978
720.0451251 725.9979006 726.7517025 730.1808714 735.2021607
739.6720498 740.2222739 748.8658994 752.7483282 754.3092624
761.5441609 764.1357215 768.5621168 770.4766661 772.6860290
778.3803879 782.4671618 789.1665636 794.1623881 794.6486432
799.1818505 801.6086411 806.4940421 812.5349259 818.4244633
821.2218334 822.8542603 826.6219272 829.7377793 830.9951490
833.3582693 837.7147986 840.4410788 840.9531683 850.4930476
853.9987722
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4711
Rtb_to_modes> Number of blocs = 198
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: 9.9859E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9956E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9967E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.1590E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1479
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3667
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5471
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.181
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.373
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.276
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.269
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.781
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.219
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.159
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.360
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.674
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.517
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.394
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.49
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.84
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.04
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.14
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 14.66
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 15.24
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 15.90
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.23
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 18.39
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 19.07
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.63
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 21.63
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 22.68
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 23.23
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.64
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 24.69
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 25.37
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 25.87
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 26.53
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 27.24
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 28.44
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 29.78
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 30.20
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 30.81
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 31.61
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 32.35
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 32.72
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 33.65
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 33.89
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 35.07
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 35.28
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 35.68
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 35.87
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 36.73
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 37.80
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 38.63
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 38.83
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 39.17
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 39.29
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 39.47
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 40.56
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 41.10
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 41.49
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 41.81
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 42.15
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 42.53
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 43.06
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 43.97
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 44.70
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 44.79
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 45.21
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.84
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 46.40
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.47
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 47.56
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 48.05
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 48.25
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 49.18
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 49.52
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 50.09
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.34
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 50.63
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 51.38
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.92
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 52.81
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.48
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 53.55
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 54.16
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 54.49
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 55.16
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 55.99
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 56.80
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 57.19
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 57.42
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 57.95
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 58.38
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.56
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 58.89
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 59.51
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.90
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 59.97
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 61.34
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 61.85
Rtb_to_modes> 106 vectors, with 1188 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00001 1.00000
1.00002 0.99999 1.00000 1.00000 1.00000
0.99999 0.99999 1.00000 1.00000 1.00002
1.00000 0.99999 1.00001 1.00001 1.00000
0.99999 1.00002 1.00000 1.00001 1.00001
1.00001 0.99999 0.99999 1.00000 1.00002
0.99999 1.00001 1.00000 0.99999 1.00002
1.00000 0.99999 1.00000 0.99999 0.99998
1.00001 1.00000 0.99999 1.00000 1.00000
1.00000 0.99999 0.99998 0.99999 1.00000
0.99999 1.00000 1.00000 1.00002 1.00002
1.00002 1.00000 1.00001 1.00000 1.00000
1.00001 0.99997 0.99999 0.99998 1.00000
1.00002 1.00000 1.00002 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00000
1.00001 0.99999 0.99999 1.00002 0.99999
0.99998 1.00000 1.00001 1.00000 1.00000
1.00001 1.00000 1.00002 0.99999 1.00001
1.00000 1.00000 0.99999 0.99999 1.00002
1.00001 1.00001 0.99999 1.00000 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 84798 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 1.00001 1.00000
1.00002 0.99999 1.00000 1.00000 1.00000
0.99999 0.99999 1.00000 1.00000 1.00002
1.00000 0.99999 1.00001 1.00001 1.00000
0.99999 1.00002 1.00000 1.00001 1.00001
1.00001 0.99999 0.99999 1.00000 1.00002
0.99999 1.00001 1.00000 0.99999 1.00002
1.00000 0.99999 1.00000 0.99999 0.99998
1.00001 1.00000 0.99999 1.00000 1.00000
1.00000 0.99999 0.99998 0.99999 1.00000
0.99999 1.00000 1.00000 1.00002 1.00002
1.00002 1.00000 1.00001 1.00000 1.00000
1.00001 0.99997 0.99999 0.99998 1.00000
1.00002 1.00000 1.00002 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00000
1.00001 0.99999 0.99999 1.00002 0.99999
0.99998 1.00000 1.00001 1.00000 1.00000
1.00001 1.00000 1.00002 0.99999 1.00001
1.00000 1.00000 0.99999 0.99999 1.00002
1.00001 1.00001 0.99999 1.00000 1.00000
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> 2403091708342514661.eigenfacs
Openam> file on opening on unit 10:
2403091708342514661.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403091708342514661.atom
Openam> file on opening on unit 11:
2403091708342514661.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 = 590
First residue number = 27
Last residue number = 618
Number of atoms found = 4711
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: 9.9859E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9967E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1590E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.394
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 14.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 15.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 22.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 23.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 24.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 25.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 25.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 26.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 27.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 28.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 29.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 30.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 30.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 31.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 32.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 32.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 33.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 33.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 35.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 35.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 35.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 35.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 36.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 37.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 38.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 38.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 39.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 39.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 39.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 40.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 41.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 41.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 41.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 42.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 42.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 43.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 43.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 44.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 44.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 45.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 46.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 47.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 48.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 48.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 49.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 49.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 50.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 50.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 51.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 52.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 53.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 54.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 54.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 55.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 55.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 56.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 57.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 57.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 57.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 58.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 58.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 59.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 59.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 61.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 61.85
Bfactors> 106 vectors, 14133 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 : 0.061590
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= 0.518 for 591 C-alpha atoms.
Bfactors> = 0.109 +/- 0.11
Bfactors> = 32.337 +/- 11.82
Bfactors> Shiftng-fct= 32.229
Bfactors> Scaling-fct= 112.201
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403091708342514661 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=0
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=100
2403091708342514661.eigenfacs
2403091708342514661.atom
making animated gifs
11 models are in 2403091708342514661.7.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 2403091708342514661.7.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 2403091708342514661.7.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 2403091708342514661 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=0
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=100
2403091708342514661.eigenfacs
2403091708342514661.atom
making animated gifs
11 models are in 2403091708342514661.8.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 2403091708342514661.8.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 2403091708342514661.8.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 2403091708342514661 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=0
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=100
2403091708342514661.eigenfacs
2403091708342514661.atom
making animated gifs
11 models are in 2403091708342514661.9.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 2403091708342514661.9.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 2403091708342514661.9.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 2403091708342514661 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=0
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=100
2403091708342514661.eigenfacs
2403091708342514661.atom
making animated gifs
11 models are in 2403091708342514661.10.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 2403091708342514661.10.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 2403091708342514661.10.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 2403091708342514661 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=-20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=0
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=20
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=40
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=60
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=80
2403091708342514661.eigenfacs
2403091708342514661.atom
calculating perturbed structure for DQ=100
2403091708342514661.eigenfacs
2403091708342514661.atom
making animated gifs
11 models are in 2403091708342514661.11.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 2403091708342514661.11.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 2403091708342514661.11.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
2403091708342514661.10.pdb
2403091708342514661.11.pdb
2403091708342514661.7.pdb
2403091708342514661.8.pdb
2403091708342514661.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.705s
user 0m29.624s
sys 0m0.080s
../../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: 2403091708342514661.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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