*** K508W ***
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 = 2401170422251402138.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 2401170422251402138.atom to be opened.
Openam> File opened: 2401170422251402138.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10484
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 0.201348 +/- 17.632836 From: -51.719000 To: 52.062000
= -6.554680 +/- 27.984302 From: -73.688000 To: 66.000000
= -3.529795 +/- 20.901032 From: -58.656000 To: 65.688000
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 0.7681 % Filled.
Pdbmat> 3799114 non-zero elements.
Pdbmat> 416005 atom-atom interactions.
Pdbmat> Number per atom= 79.36 +/- 22.74
Maximum number = 127
Minimum number = 7
Pdbmat> Matrix trace = 8.320100E+06
Pdbmat> Larger element = 506.331
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1350 non-zero elements, NRBL set to 7
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401170422251402138.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401170422251402138.atom to be opened.
Openam> file on opening on unit 11:
2401170422251402138.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10484 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1350 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 45
Blocpdb> 59 atoms in block 3
Block first atom: 100
Blocpdb> 57 atoms in block 4
Block first atom: 159
Blocpdb> 60 atoms in block 5
Block first atom: 216
Blocpdb> 54 atoms in block 6
Block first atom: 276
Blocpdb> 62 atoms in block 7
Block first atom: 330
Blocpdb> 55 atoms in block 8
Block first atom: 392
Blocpdb> 49 atoms in block 9
Block first atom: 447
Blocpdb> 55 atoms in block 10
Block first atom: 496
Blocpdb> 55 atoms in block 11
Block first atom: 551
Blocpdb> 56 atoms in block 12
Block first atom: 606
Blocpdb> 47 atoms in block 13
Block first atom: 662
Blocpdb> 59 atoms in block 14
Block first atom: 709
Blocpdb> 50 atoms in block 15
Block first atom: 768
Blocpdb> 58 atoms in block 16
Block first atom: 818
Blocpdb> 56 atoms in block 17
Block first atom: 876
Blocpdb> 59 atoms in block 18
Block first atom: 932
Blocpdb> 67 atoms in block 19
Block first atom: 991
Blocpdb> 58 atoms in block 20
Block first atom: 1058
Blocpdb> 65 atoms in block 21
Block first atom: 1116
Blocpdb> 64 atoms in block 22
Block first atom: 1181
Blocpdb> 59 atoms in block 23
Block first atom: 1245
Blocpdb> 56 atoms in block 24
Block first atom: 1304
Blocpdb> 59 atoms in block 25
Block first atom: 1360
Blocpdb> 50 atoms in block 26
Block first atom: 1419
Blocpdb> 60 atoms in block 27
Block first atom: 1469
Blocpdb> 58 atoms in block 28
Block first atom: 1529
Blocpdb> 57 atoms in block 29
Block first atom: 1587
Blocpdb> 37 atoms in block 30
Block first atom: 1644
Blocpdb> 56 atoms in block 31
Block first atom: 1681
Blocpdb> 60 atoms in block 32
Block first atom: 1737
Blocpdb> 55 atoms in block 33
Block first atom: 1797
Blocpdb> 62 atoms in block 34
Block first atom: 1852
Blocpdb> 51 atoms in block 35
Block first atom: 1914
Blocpdb> 56 atoms in block 36
Block first atom: 1965
Blocpdb> 54 atoms in block 37
Block first atom: 2021
Blocpdb> 54 atoms in block 38
Block first atom: 2075
Blocpdb> 59 atoms in block 39
Block first atom: 2129
Blocpdb> 59 atoms in block 40
Block first atom: 2188
Blocpdb> 56 atoms in block 41
Block first atom: 2247
Blocpdb> 54 atoms in block 42
Block first atom: 2303
Blocpdb> 52 atoms in block 43
Block first atom: 2357
Blocpdb> 53 atoms in block 44
Block first atom: 2409
Blocpdb> 53 atoms in block 45
Block first atom: 2462
Blocpdb> 52 atoms in block 46
Block first atom: 2515
Blocpdb> 49 atoms in block 47
Block first atom: 2567
Blocpdb> 56 atoms in block 48
Block first atom: 2616
Blocpdb> 37 atoms in block 49
Block first atom: 2672
Blocpdb> 54 atoms in block 50
Block first atom: 2709
Blocpdb> 59 atoms in block 51
Block first atom: 2763
Blocpdb> 51 atoms in block 52
Block first atom: 2822
Blocpdb> 59 atoms in block 53
Block first atom: 2873
Blocpdb> 59 atoms in block 54
Block first atom: 2932
Blocpdb> 65 atoms in block 55
Block first atom: 2991
Blocpdb> 61 atoms in block 56
Block first atom: 3056
Blocpdb> 52 atoms in block 57
Block first atom: 3117
Blocpdb> 46 atoms in block 58
Block first atom: 3169
Blocpdb> 55 atoms in block 59
Block first atom: 3215
Blocpdb> 65 atoms in block 60
Block first atom: 3270
Blocpdb> 51 atoms in block 61
Block first atom: 3335
Blocpdb> 48 atoms in block 62
Block first atom: 3386
Blocpdb> 33 atoms in block 63
Block first atom: 3434
Blocpdb> 57 atoms in block 64
Block first atom: 3467
Blocpdb> 60 atoms in block 65
Block first atom: 3524
Blocpdb> 50 atoms in block 66
Block first atom: 3584
Blocpdb> 49 atoms in block 67
Block first atom: 3634
Blocpdb> 52 atoms in block 68
Block first atom: 3683
Blocpdb> 58 atoms in block 69
Block first atom: 3735
Blocpdb> 49 atoms in block 70
Block first atom: 3793
Blocpdb> 59 atoms in block 71
Block first atom: 3842
Blocpdb> 61 atoms in block 72
Block first atom: 3901
Blocpdb> 58 atoms in block 73
Block first atom: 3962
Blocpdb> 50 atoms in block 74
Block first atom: 4020
Blocpdb> 47 atoms in block 75
Block first atom: 4070
Blocpdb> 39 atoms in block 76
Block first atom: 4117
Blocpdb> 45 atoms in block 77
Block first atom: 4156
Blocpdb> 51 atoms in block 78
Block first atom: 4201
Blocpdb> 56 atoms in block 79
Block first atom: 4252
Blocpdb> 50 atoms in block 80
Block first atom: 4308
Blocpdb> 55 atoms in block 81
Block first atom: 4358
Blocpdb> 58 atoms in block 82
Block first atom: 4413
Blocpdb> 56 atoms in block 83
Block first atom: 4471
Blocpdb> 54 atoms in block 84
Block first atom: 4527
Blocpdb> 50 atoms in block 85
Block first atom: 4581
Blocpdb> 59 atoms in block 86
Block first atom: 4631
Blocpdb> 73 atoms in block 87
Block first atom: 4690
Blocpdb> 50 atoms in block 88
Block first atom: 4763
Blocpdb> 48 atoms in block 89
Block first atom: 4813
Blocpdb> 57 atoms in block 90
Block first atom: 4861
Blocpdb> 52 atoms in block 91
Block first atom: 4918
Blocpdb> 49 atoms in block 92
Block first atom: 4970
Blocpdb> 49 atoms in block 93
Block first atom: 5019
Blocpdb> 60 atoms in block 94
Block first atom: 5068
Blocpdb> 55 atoms in block 95
Block first atom: 5128
Blocpdb> 45 atoms in block 96
Block first atom: 5183
Blocpdb> 15 atoms in block 97
Block first atom: 5228
Blocpdb> 44 atoms in block 98
Block first atom: 5243
Blocpdb> 55 atoms in block 99
Block first atom: 5287
Blocpdb> 59 atoms in block 100
Block first atom: 5342
Blocpdb> 57 atoms in block 101
Block first atom: 5401
Blocpdb> 60 atoms in block 102
Block first atom: 5458
Blocpdb> 54 atoms in block 103
Block first atom: 5518
Blocpdb> 62 atoms in block 104
Block first atom: 5572
Blocpdb> 55 atoms in block 105
Block first atom: 5634
Blocpdb> 49 atoms in block 106
Block first atom: 5689
Blocpdb> 55 atoms in block 107
Block first atom: 5738
Blocpdb> 55 atoms in block 108
Block first atom: 5793
Blocpdb> 56 atoms in block 109
Block first atom: 5848
Blocpdb> 47 atoms in block 110
Block first atom: 5904
Blocpdb> 59 atoms in block 111
Block first atom: 5951
Blocpdb> 50 atoms in block 112
Block first atom: 6010
Blocpdb> 58 atoms in block 113
Block first atom: 6060
Blocpdb> 56 atoms in block 114
Block first atom: 6118
Blocpdb> 59 atoms in block 115
Block first atom: 6174
Blocpdb> 67 atoms in block 116
Block first atom: 6233
Blocpdb> 58 atoms in block 117
Block first atom: 6300
Blocpdb> 65 atoms in block 118
Block first atom: 6358
Blocpdb> 64 atoms in block 119
Block first atom: 6423
Blocpdb> 59 atoms in block 120
Block first atom: 6487
Blocpdb> 56 atoms in block 121
Block first atom: 6546
Blocpdb> 59 atoms in block 122
Block first atom: 6602
Blocpdb> 50 atoms in block 123
Block first atom: 6661
Blocpdb> 60 atoms in block 124
Block first atom: 6711
Blocpdb> 58 atoms in block 125
Block first atom: 6771
Blocpdb> 57 atoms in block 126
Block first atom: 6829
Blocpdb> 37 atoms in block 127
Block first atom: 6886
Blocpdb> 56 atoms in block 128
Block first atom: 6923
Blocpdb> 60 atoms in block 129
Block first atom: 6979
Blocpdb> 55 atoms in block 130
Block first atom: 7039
Blocpdb> 62 atoms in block 131
Block first atom: 7094
Blocpdb> 51 atoms in block 132
Block first atom: 7156
Blocpdb> 56 atoms in block 133
Block first atom: 7207
Blocpdb> 54 atoms in block 134
Block first atom: 7263
Blocpdb> 54 atoms in block 135
Block first atom: 7317
Blocpdb> 59 atoms in block 136
Block first atom: 7371
Blocpdb> 59 atoms in block 137
Block first atom: 7430
Blocpdb> 56 atoms in block 138
Block first atom: 7489
Blocpdb> 54 atoms in block 139
Block first atom: 7545
Blocpdb> 52 atoms in block 140
Block first atom: 7599
Blocpdb> 53 atoms in block 141
Block first atom: 7651
Blocpdb> 53 atoms in block 142
Block first atom: 7704
Blocpdb> 52 atoms in block 143
Block first atom: 7757
Blocpdb> 49 atoms in block 144
Block first atom: 7809
Blocpdb> 56 atoms in block 145
Block first atom: 7858
Blocpdb> 37 atoms in block 146
Block first atom: 7914
Blocpdb> 54 atoms in block 147
Block first atom: 7951
Blocpdb> 59 atoms in block 148
Block first atom: 8005
Blocpdb> 51 atoms in block 149
Block first atom: 8064
Blocpdb> 59 atoms in block 150
Block first atom: 8115
Blocpdb> 59 atoms in block 151
Block first atom: 8174
Blocpdb> 65 atoms in block 152
Block first atom: 8233
Blocpdb> 61 atoms in block 153
Block first atom: 8298
Blocpdb> 52 atoms in block 154
Block first atom: 8359
Blocpdb> 46 atoms in block 155
Block first atom: 8411
Blocpdb> 55 atoms in block 156
Block first atom: 8457
Blocpdb> 65 atoms in block 157
Block first atom: 8512
Blocpdb> 51 atoms in block 158
Block first atom: 8577
Blocpdb> 48 atoms in block 159
Block first atom: 8628
Blocpdb> 33 atoms in block 160
Block first atom: 8676
Blocpdb> 57 atoms in block 161
Block first atom: 8709
Blocpdb> 60 atoms in block 162
Block first atom: 8766
Blocpdb> 50 atoms in block 163
Block first atom: 8826
Blocpdb> 49 atoms in block 164
Block first atom: 8876
Blocpdb> 52 atoms in block 165
Block first atom: 8925
Blocpdb> 58 atoms in block 166
Block first atom: 8977
Blocpdb> 49 atoms in block 167
Block first atom: 9035
Blocpdb> 59 atoms in block 168
Block first atom: 9084
Blocpdb> 61 atoms in block 169
Block first atom: 9143
Blocpdb> 58 atoms in block 170
Block first atom: 9204
Blocpdb> 50 atoms in block 171
Block first atom: 9262
Blocpdb> 47 atoms in block 172
Block first atom: 9312
Blocpdb> 39 atoms in block 173
Block first atom: 9359
Blocpdb> 45 atoms in block 174
Block first atom: 9398
Blocpdb> 51 atoms in block 175
Block first atom: 9443
Blocpdb> 56 atoms in block 176
Block first atom: 9494
Blocpdb> 50 atoms in block 177
Block first atom: 9550
Blocpdb> 55 atoms in block 178
Block first atom: 9600
Blocpdb> 58 atoms in block 179
Block first atom: 9655
Blocpdb> 56 atoms in block 180
Block first atom: 9713
Blocpdb> 54 atoms in block 181
Block first atom: 9769
Blocpdb> 50 atoms in block 182
Block first atom: 9823
Blocpdb> 59 atoms in block 183
Block first atom: 9873
Blocpdb> 73 atoms in block 184
Block first atom: 9932
Blocpdb> 50 atoms in block 185
Block first atom: 10005
Blocpdb> 48 atoms in block 186
Block first atom: 10055
Blocpdb> 57 atoms in block 187
Block first atom: 10103
Blocpdb> 52 atoms in block 188
Block first atom: 10160
Blocpdb> 49 atoms in block 189
Block first atom: 10212
Blocpdb> 49 atoms in block 190
Block first atom: 10261
Blocpdb> 60 atoms in block 191
Block first atom: 10310
Blocpdb> 55 atoms in block 192
Block first atom: 10370
Blocpdb> 45 atoms in block 193
Block first atom: 10425
Blocpdb> 15 atoms in block 194
Block first atom: 10469
Blocpdb> 194 blocks.
Blocpdb> At most, 73 atoms in each of them.
Blocpdb> At least, 15 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> 3799308 matrix lines read.
Prepmat> Matrix order = 31452
Prepmat> Matrix trace = 8320100.0000
Prepmat> Last element read: 31452 31452 55.1617
Prepmat> 18916 lines saved.
Prepmat> 17481 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: 10484
RTB> Total mass = 10484.0000
RTB> Number of atoms found in matrix: 10484
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 184098.4869
RTB> 48714 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 = 1164
Diagstd> Nb of non-zero elements: 48714
Diagstd> Projected matrix trace = 184098.4869
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1164 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 184098.4869
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 0.0352585 0.0362414 0.0854523 0.0902045
0.1317007 0.1878859 0.2977908 0.4170903 0.4606968
0.4763043 0.5311395 0.7962554 0.9017814 0.9282068
1.0505465 1.3439411 1.3683160 1.4722880 1.5794414
1.9049282 2.0823749 2.2534174 2.4212401 2.6225565
2.9749274 3.2682257 3.6918477 3.7286422 3.8029490
3.8140559 4.0495949 4.3815418 4.4495066 5.3894064
5.5192297 5.6968203 5.8661111 5.9080772 6.2761223
6.5626597 7.0958189 7.3417777 7.6572371 8.8574827
8.9728595 9.0161711 9.1659865 9.6192151 9.8490181
10.0940115 10.1949566 10.4009786 10.4303401 10.6280431
10.7305168 10.9616033 11.2724833 12.0040702 12.1911816
12.2808327 12.5980508 12.7681716 12.9996415 13.2732550
13.4868167 14.0298087 14.1377852 14.4971029 15.0827740
15.1986254 15.7241231 15.8781347 15.9961042 16.3325396
16.3983368 16.6627680 16.7950823 16.9284112 17.0812724
17.4987765 17.8451908 18.3310546 18.7006519 19.5021330
19.5483260 19.6441379 19.9473386 20.0969357 20.1684641
20.5126619 20.8012211 20.8939642 21.0142100 21.1987113
21.2767820 21.8318024 22.3398782 23.0675795 23.1883602
23.3919040
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034326 0.0034329 0.0034330 0.0034338 0.0034341
0.0034345 20.3904745 20.6727351 31.7436723 32.6144034
39.4084429 47.0697984 59.2585334 70.1310485 73.7060052
74.9441172 79.1406424 96.8994887 103.1207139 104.6207085
111.3019887 125.8883108 127.0247892 131.7624519 136.4730947
149.8768580 156.7020744 163.0106962 168.9717935 175.8562083
187.2981400 196.3140144 208.6494139 209.6865789 211.7656588
212.0746742 218.5249699 227.3048814 229.0610288 252.0958791
255.1141315 259.1859999 263.0088867 263.9479914 272.0451456
278.1859697 289.2654339 294.2360595 300.4909029 323.1844349
325.2825104 326.0666286 328.7644784 336.7945838 340.7938491
345.0064203 346.7272462 350.2130959 350.7070659 354.0152198
355.7178012 359.5276712 364.5902746 376.2353023 379.1562154
380.5477762 385.4312808 388.0249351 391.5263257 395.6252477
398.7952777 406.7439999 408.3061952 413.4622761 421.7313564
423.3479258 430.6044340 432.7080968 434.3125630 438.8561005
439.7391986 443.2705247 445.0269870 446.7899344 448.8026260
454.2543788 458.7286638 464.9315369 469.5952052 479.5526959
480.1202979 481.2954627 484.9955566 486.8107969 487.6763483
491.8201197 495.2673469 496.3702031 497.7964719 499.9769812
500.8967937 507.3878652 513.2579445 521.5504131 522.9140354
525.2040504
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10484
Rtb_to_modes> Number of blocs = 194
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: 9.9922E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9942E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.5259E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.6241E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.5452E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.0205E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1317
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1879
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2978
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.4171
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4607
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4763
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5311
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.7963
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.9018
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9282
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.051
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.344
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.368
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.472
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.579
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.905
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.082
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.253
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.421
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.623
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.975
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.268
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.692
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.729
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.803
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3.814
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.050
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.382
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.450
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 5.389
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 5.519
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 5.697
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 5.866
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 5.908
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 6.276
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 6.563
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 7.096
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 7.342
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 7.657
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 8.857
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 8.973
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 9.016
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 9.166
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 9.619
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 9.849
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 10.09
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 10.40
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 10.43
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 10.63
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 10.96
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 11.27
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 12.19
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 12.28
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 12.60
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 12.77
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 13.27
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 13.49
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 14.03
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 14.14
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 15.08
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 15.20
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 15.72
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 15.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 16.00
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 16.33
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 16.40
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 16.66
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 16.80
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 16.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 17.08
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 17.50
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 17.85
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 18.33
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 18.70
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 19.50
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 19.55
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 19.64
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 19.95
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 20.10
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 20.17
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 20.51
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 20.80
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 20.89
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 21.01
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 21.20
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 21.28
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 21.83
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 22.34
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 23.07
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 23.19
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 23.39
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00004 1.00000 1.00001
1.00000 1.00006 0.99999 1.00002 1.00000
1.00002 0.99999 1.00001 0.99997 0.99999
0.99998 0.99999 0.99998 1.00004 0.99992
1.00001 0.99996 0.99999 1.00001 0.99999
1.00000 0.99998 1.00001 0.99997 1.00000
1.00000 0.99997 1.00000 1.00000 0.99998
0.99996 0.99998 1.00001 1.00001 0.99999
1.00000 0.99999 1.00002 0.99999 0.99998
1.00000 1.00000 1.00002 0.99999 0.99999
1.00002 1.00004 0.99998 0.99998 1.00002
0.99998 0.99998 1.00000 1.00000 0.99997
0.99998 1.00000 0.99997 1.00001 0.99998
0.99999 0.99998 1.00001 0.99999 1.00003
0.99999 1.00001 1.00000 1.00000 1.00000
0.99999 1.00001 1.00002 1.00000 1.00002
1.00000 1.00000 1.00003 1.00000 0.99999
0.99999 0.99999 1.00001 0.99999 0.99999
0.99998 1.00000 0.99998 1.00000 1.00001
1.00000 1.00000 1.00000 1.00002 0.99998
0.99999 0.99999 0.99999 0.99999 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188712 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00004 1.00000 1.00001
1.00000 1.00006 0.99999 1.00002 1.00000
1.00002 0.99999 1.00001 0.99997 0.99999
0.99998 0.99999 0.99998 1.00004 0.99992
1.00001 0.99996 0.99999 1.00001 0.99999
1.00000 0.99998 1.00001 0.99997 1.00000
1.00000 0.99997 1.00000 1.00000 0.99998
0.99996 0.99998 1.00001 1.00001 0.99999
1.00000 0.99999 1.00002 0.99999 0.99998
1.00000 1.00000 1.00002 0.99999 0.99999
1.00002 1.00004 0.99998 0.99998 1.00002
0.99998 0.99998 1.00000 1.00000 0.99997
0.99998 1.00000 0.99997 1.00001 0.99998
0.99999 0.99998 1.00001 0.99999 1.00003
0.99999 1.00001 1.00000 1.00000 1.00000
0.99999 1.00001 1.00002 1.00000 1.00002
1.00000 1.00000 1.00003 1.00000 0.99999
0.99999 0.99999 1.00001 0.99999 0.99999
0.99998 1.00000 0.99998 1.00000 1.00001
1.00000 1.00000 1.00000 1.00002 0.99998
0.99999 0.99999 0.99999 0.99999 1.00001
0.99999
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> 2401170422251402138.eigenfacs
Openam> file on opening on unit 10:
2401170422251402138.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401170422251402138.atom
Openam> file on opening on unit 11:
2401170422251402138.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10484
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9922E-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: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
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: 3.5259E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.6241E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.5452E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0205E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.421
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 5.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 5.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 5.697
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 5.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 5.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 6.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 6.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 7.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 23.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 23.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 23.39
Bfactors> 106 vectors, 31452 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 : 0.035259
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= -0.288 for 1350 C-alpha atoms.
Bfactors> = 0.221 +/- 1.96
Bfactors> = 74.930 +/- 16.30
Bfactors> Shiftng-fct= 74.709
Bfactors> Scaling-fct= 8.309
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401170422251402138 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=0
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=100
2401170422251402138.eigenfacs
2401170422251402138.atom
making animated gifs
11 models are in 2401170422251402138.7.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 2401170422251402138.7.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 2401170422251402138.7.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 2401170422251402138 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=0
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=100
2401170422251402138.eigenfacs
2401170422251402138.atom
making animated gifs
11 models are in 2401170422251402138.8.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 2401170422251402138.8.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 2401170422251402138.8.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 2401170422251402138 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=0
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=100
2401170422251402138.eigenfacs
2401170422251402138.atom
making animated gifs
11 models are in 2401170422251402138.9.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 2401170422251402138.9.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 2401170422251402138.9.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 2401170422251402138 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=0
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=100
2401170422251402138.eigenfacs
2401170422251402138.atom
making animated gifs
11 models are in 2401170422251402138.10.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 2401170422251402138.10.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 2401170422251402138.10.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 2401170422251402138 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=-20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=0
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=20
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=40
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=60
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=80
2401170422251402138.eigenfacs
2401170422251402138.atom
calculating perturbed structure for DQ=100
2401170422251402138.eigenfacs
2401170422251402138.atom
making animated gifs
11 models are in 2401170422251402138.11.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 2401170422251402138.11.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 2401170422251402138.11.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
2401170422251402138.10.pdb
2401170422251402138.11.pdb
2401170422251402138.7.pdb
2401170422251402138.8.pdb
2401170422251402138.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.976s
user 0m57.779s
sys 0m0.196s
../../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: 2401170422251402138.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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