*** CMEMBP ***
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 = 240123140932141002.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 240123140932141002.atom to be opened.
Openam> File opened: 240123140932141002.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 = 559
First residue number = 1
Last residue number = 559
Number of atoms found = 4239
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 8.885074 +/- 18.105370 From: -27.750000 To: 59.281000
= 2.066985 +/- 13.304723 From: -32.875000 To: 36.000000
= 1.538994 +/- 13.445860 From: -31.531000 To: 33.688000
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 1.7534 % Filled.
Pdbmat> 1417939 non-zero elements.
Pdbmat> 154955 atom-atom interactions.
Pdbmat> Number per atom= 73.11 +/- 27.06
Maximum number = 128
Minimum number = 8
Pdbmat> Matrix trace = 3.099100E+06
Pdbmat> Larger element = 493.280
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
559 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 = 240123140932141002.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 240123140932141002.atom to be opened.
Openam> file on opening on unit 11:
240123140932141002.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4239 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> 559 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 26
Blocpdb> 24 atoms in block 3
Block first atom: 48
Blocpdb> 30 atoms in block 4
Block first atom: 72
Blocpdb> 20 atoms in block 5
Block first atom: 102
Blocpdb> 25 atoms in block 6
Block first atom: 122
Blocpdb> 20 atoms in block 7
Block first atom: 147
Blocpdb> 21 atoms in block 8
Block first atom: 167
Blocpdb> 22 atoms in block 9
Block first atom: 188
Blocpdb> 29 atoms in block 10
Block first atom: 210
Blocpdb> 19 atoms in block 11
Block first atom: 239
Blocpdb> 24 atoms in block 12
Block first atom: 258
Blocpdb> 23 atoms in block 13
Block first atom: 282
Blocpdb> 25 atoms in block 14
Block first atom: 305
Blocpdb> 26 atoms in block 15
Block first atom: 330
Blocpdb> 29 atoms in block 16
Block first atom: 356
Blocpdb> 23 atoms in block 17
Block first atom: 385
Blocpdb> 17 atoms in block 18
Block first atom: 408
Blocpdb> 16 atoms in block 19
Block first atom: 425
Blocpdb> 23 atoms in block 20
Block first atom: 441
Blocpdb> 33 atoms in block 21
Block first atom: 464
Blocpdb> 23 atoms in block 22
Block first atom: 497
Blocpdb> 26 atoms in block 23
Block first atom: 520
Blocpdb> 21 atoms in block 24
Block first atom: 546
Blocpdb> 19 atoms in block 25
Block first atom: 567
Blocpdb> 21 atoms in block 26
Block first atom: 586
Blocpdb> 24 atoms in block 27
Block first atom: 607
Blocpdb> 24 atoms in block 28
Block first atom: 631
Blocpdb> 25 atoms in block 29
Block first atom: 655
Blocpdb> 25 atoms in block 30
Block first atom: 680
Blocpdb> 30 atoms in block 31
Block first atom: 705
Blocpdb> 29 atoms in block 32
Block first atom: 735
Blocpdb> 23 atoms in block 33
Block first atom: 764
Blocpdb> 24 atoms in block 34
Block first atom: 787
Blocpdb> 25 atoms in block 35
Block first atom: 811
Blocpdb> 24 atoms in block 36
Block first atom: 836
Blocpdb> 20 atoms in block 37
Block first atom: 860
Blocpdb> 22 atoms in block 38
Block first atom: 880
Blocpdb> 22 atoms in block 39
Block first atom: 902
Blocpdb> 29 atoms in block 40
Block first atom: 924
Blocpdb> 24 atoms in block 41
Block first atom: 953
Blocpdb> 22 atoms in block 42
Block first atom: 977
Blocpdb> 23 atoms in block 43
Block first atom: 999
Blocpdb> 32 atoms in block 44
Block first atom: 1022
Blocpdb> 20 atoms in block 45
Block first atom: 1054
Blocpdb> 25 atoms in block 46
Block first atom: 1074
Blocpdb> 26 atoms in block 47
Block first atom: 1099
Blocpdb> 18 atoms in block 48
Block first atom: 1125
Blocpdb> 20 atoms in block 49
Block first atom: 1143
Blocpdb> 27 atoms in block 50
Block first atom: 1163
Blocpdb> 25 atoms in block 51
Block first atom: 1190
Blocpdb> 28 atoms in block 52
Block first atom: 1215
Blocpdb> 32 atoms in block 53
Block first atom: 1243
Blocpdb> 23 atoms in block 54
Block first atom: 1275
Blocpdb> 18 atoms in block 55
Block first atom: 1298
Blocpdb> 20 atoms in block 56
Block first atom: 1316
Blocpdb> 25 atoms in block 57
Block first atom: 1336
Blocpdb> 29 atoms in block 58
Block first atom: 1361
Blocpdb> 25 atoms in block 59
Block first atom: 1390
Blocpdb> 25 atoms in block 60
Block first atom: 1415
Blocpdb> 19 atoms in block 61
Block first atom: 1440
Blocpdb> 23 atoms in block 62
Block first atom: 1459
Blocpdb> 14 atoms in block 63
Block first atom: 1482
Blocpdb> 18 atoms in block 64
Block first atom: 1496
Blocpdb> 26 atoms in block 65
Block first atom: 1514
Blocpdb> 23 atoms in block 66
Block first atom: 1540
Blocpdb> 25 atoms in block 67
Block first atom: 1563
Blocpdb> 27 atoms in block 68
Block first atom: 1588
Blocpdb> 21 atoms in block 69
Block first atom: 1615
Blocpdb> 23 atoms in block 70
Block first atom: 1636
Blocpdb> 26 atoms in block 71
Block first atom: 1659
Blocpdb> 19 atoms in block 72
Block first atom: 1685
Blocpdb> 24 atoms in block 73
Block first atom: 1704
Blocpdb> 22 atoms in block 74
Block first atom: 1728
Blocpdb> 20 atoms in block 75
Block first atom: 1750
Blocpdb> 23 atoms in block 76
Block first atom: 1770
Blocpdb> 25 atoms in block 77
Block first atom: 1793
Blocpdb> 25 atoms in block 78
Block first atom: 1818
Blocpdb> 24 atoms in block 79
Block first atom: 1843
Blocpdb> 22 atoms in block 80
Block first atom: 1867
Blocpdb> 27 atoms in block 81
Block first atom: 1889
Blocpdb> 18 atoms in block 82
Block first atom: 1916
Blocpdb> 22 atoms in block 83
Block first atom: 1934
Blocpdb> 27 atoms in block 84
Block first atom: 1956
Blocpdb> 20 atoms in block 85
Block first atom: 1983
Blocpdb> 22 atoms in block 86
Block first atom: 2003
Blocpdb> 22 atoms in block 87
Block first atom: 2025
Blocpdb> 21 atoms in block 88
Block first atom: 2047
Blocpdb> 17 atoms in block 89
Block first atom: 2068
Blocpdb> 18 atoms in block 90
Block first atom: 2085
Blocpdb> 21 atoms in block 91
Block first atom: 2103
Blocpdb> 26 atoms in block 92
Block first atom: 2124
Blocpdb> 23 atoms in block 93
Block first atom: 2150
Blocpdb> 28 atoms in block 94
Block first atom: 2173
Blocpdb> 28 atoms in block 95
Block first atom: 2201
Blocpdb> 23 atoms in block 96
Block first atom: 2229
Blocpdb> 21 atoms in block 97
Block first atom: 2252
Blocpdb> 21 atoms in block 98
Block first atom: 2273
Blocpdb> 25 atoms in block 99
Block first atom: 2294
Blocpdb> 24 atoms in block 100
Block first atom: 2319
Blocpdb> 16 atoms in block 101
Block first atom: 2343
Blocpdb> 22 atoms in block 102
Block first atom: 2359
Blocpdb> 27 atoms in block 103
Block first atom: 2381
Blocpdb> 26 atoms in block 104
Block first atom: 2408
Blocpdb> 24 atoms in block 105
Block first atom: 2434
Blocpdb> 26 atoms in block 106
Block first atom: 2458
Blocpdb> 17 atoms in block 107
Block first atom: 2484
Blocpdb> 25 atoms in block 108
Block first atom: 2501
Blocpdb> 23 atoms in block 109
Block first atom: 2526
Blocpdb> 21 atoms in block 110
Block first atom: 2549
Blocpdb> 23 atoms in block 111
Block first atom: 2570
Blocpdb> 24 atoms in block 112
Block first atom: 2593
Blocpdb> 19 atoms in block 113
Block first atom: 2617
Blocpdb> 37 atoms in block 114
Block first atom: 2636
Blocpdb> 23 atoms in block 115
Block first atom: 2673
Blocpdb> 19 atoms in block 116
Block first atom: 2696
Blocpdb> 21 atoms in block 117
Block first atom: 2715
Blocpdb> 15 atoms in block 118
Block first atom: 2736
Blocpdb> 27 atoms in block 119
Block first atom: 2751
Blocpdb> 24 atoms in block 120
Block first atom: 2778
Blocpdb> 22 atoms in block 121
Block first atom: 2802
Blocpdb> 22 atoms in block 122
Block first atom: 2824
Blocpdb> 21 atoms in block 123
Block first atom: 2846
Blocpdb> 20 atoms in block 124
Block first atom: 2867
Blocpdb> 24 atoms in block 125
Block first atom: 2887
Blocpdb> 24 atoms in block 126
Block first atom: 2911
Blocpdb> 24 atoms in block 127
Block first atom: 2935
Blocpdb> 20 atoms in block 128
Block first atom: 2959
Blocpdb> 24 atoms in block 129
Block first atom: 2979
Blocpdb> 18 atoms in block 130
Block first atom: 3003
Blocpdb> 15 atoms in block 131
Block first atom: 3021
Blocpdb> 23 atoms in block 132
Block first atom: 3036
Blocpdb> 22 atoms in block 133
Block first atom: 3059
Blocpdb> 22 atoms in block 134
Block first atom: 3081
Blocpdb> 23 atoms in block 135
Block first atom: 3103
Blocpdb> 20 atoms in block 136
Block first atom: 3126
Blocpdb> 15 atoms in block 137
Block first atom: 3146
Blocpdb> 18 atoms in block 138
Block first atom: 3161
Blocpdb> 22 atoms in block 139
Block first atom: 3179
Blocpdb> 20 atoms in block 140
Block first atom: 3201
Blocpdb> 20 atoms in block 141
Block first atom: 3221
Blocpdb> 23 atoms in block 142
Block first atom: 3241
Blocpdb> 23 atoms in block 143
Block first atom: 3264
Blocpdb> 25 atoms in block 144
Block first atom: 3287
Blocpdb> 20 atoms in block 145
Block first atom: 3312
Blocpdb> 15 atoms in block 146
Block first atom: 3332
Blocpdb> 27 atoms in block 147
Block first atom: 3347
Blocpdb> 21 atoms in block 148
Block first atom: 3374
Blocpdb> 22 atoms in block 149
Block first atom: 3395
Blocpdb> 20 atoms in block 150
Block first atom: 3417
Blocpdb> 20 atoms in block 151
Block first atom: 3437
Blocpdb> 18 atoms in block 152
Block first atom: 3457
Blocpdb> 21 atoms in block 153
Block first atom: 3475
Blocpdb> 21 atoms in block 154
Block first atom: 3496
Blocpdb> 21 atoms in block 155
Block first atom: 3517
Blocpdb> 24 atoms in block 156
Block first atom: 3538
Blocpdb> 22 atoms in block 157
Block first atom: 3562
Blocpdb> 32 atoms in block 158
Block first atom: 3584
Blocpdb> 18 atoms in block 159
Block first atom: 3616
Blocpdb> 15 atoms in block 160
Block first atom: 3634
Blocpdb> 18 atoms in block 161
Block first atom: 3649
Blocpdb> 20 atoms in block 162
Block first atom: 3667
Blocpdb> 19 atoms in block 163
Block first atom: 3687
Blocpdb> 19 atoms in block 164
Block first atom: 3706
Blocpdb> 25 atoms in block 165
Block first atom: 3725
Blocpdb> 18 atoms in block 166
Block first atom: 3750
Blocpdb> 19 atoms in block 167
Block first atom: 3768
Blocpdb> 19 atoms in block 168
Block first atom: 3787
Blocpdb> 27 atoms in block 169
Block first atom: 3806
Blocpdb> 32 atoms in block 170
Block first atom: 3833
Blocpdb> 26 atoms in block 171
Block first atom: 3865
Blocpdb> 22 atoms in block 172
Block first atom: 3891
Blocpdb> 26 atoms in block 173
Block first atom: 3913
Blocpdb> 22 atoms in block 174
Block first atom: 3939
Blocpdb> 23 atoms in block 175
Block first atom: 3961
Blocpdb> 22 atoms in block 176
Block first atom: 3984
Blocpdb> 26 atoms in block 177
Block first atom: 4006
Blocpdb> 22 atoms in block 178
Block first atom: 4032
Blocpdb> 18 atoms in block 179
Block first atom: 4054
Blocpdb> 20 atoms in block 180
Block first atom: 4072
Blocpdb> 21 atoms in block 181
Block first atom: 4092
Blocpdb> 17 atoms in block 182
Block first atom: 4113
Blocpdb> 19 atoms in block 183
Block first atom: 4130
Blocpdb> 25 atoms in block 184
Block first atom: 4149
Blocpdb> 26 atoms in block 185
Block first atom: 4174
Blocpdb> 30 atoms in block 186
Block first atom: 4200
Blocpdb> 10 atoms in block 187
Block first atom: 4229
Blocpdb> 187 blocks.
Blocpdb> At most, 37 atoms in each of them.
Blocpdb> At least, 10 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> 1418126 matrix lines read.
Prepmat> Matrix order = 12717
Prepmat> Matrix trace = 3099100.0000
Prepmat> Last element read: 12717 12717 99.8313
Prepmat> 17579 lines saved.
Prepmat> 15915 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: 4239
RTB> Total mass = 4239.0000
RTB> Number of atoms found in matrix: 4239
RTB> Number of blocks = 187
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 204586.1012
RTB> 57063 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 = 1122
Diagstd> Nb of non-zero elements: 57063
Diagstd> Projected matrix trace = 204586.1012
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1122 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 204586.1012
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 0.0077959 0.0170579 0.0574994 0.1066629
0.1430951 0.1941577 0.2401941 0.3122195 0.3414791
0.3944394 0.4326462 0.5371612 0.6678681 0.6746235
0.7828186 0.8207163 1.0101179 1.1416602 1.2076186
1.2531078 1.3878132 1.5283815 1.7093247 1.7650670
1.8610829 1.9933200 2.0544398 2.1070030 2.3117603
2.3789541 2.6812436 2.7686145 2.8564575 2.9116531
3.0802439 3.1948265 3.2467710 3.6788830 3.9101595
3.9829160 4.0887676 4.1773942 4.3257375 4.6959235
4.9288499 5.0442263 5.1031416 5.1642274 5.3653611
5.3963964 5.4844081 5.6251625 5.7729556 5.8866224
6.0778526 6.2467178 6.5290954 6.7768932 6.8238325
7.1126461 7.4192412 7.4601953 7.7825351 8.3093001
8.5406799 8.6462513 8.7124855 9.2298752 9.4381181
9.8739821 10.0564395 10.3720906 10.6637080 10.9428987
11.0919398 11.4560765 11.7902930 11.9743156 12.0877206
12.2325958 12.4193861 12.6700673 13.1417748 13.3502389
13.4226170 13.8008866 14.0938825 14.3075976 14.3875299
14.7338577 15.0986694 15.2565315 15.8040490 16.1249068
16.2330572 16.3857620 16.7954871 16.9428695 17.3070406
17.5826619
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034326 0.0034329 0.0034335 0.0034338 0.0034341
0.0034348 9.5880024 14.1826668 26.0391621 35.4651701
41.0778496 47.8489647 53.2201933 60.6771651 63.4566822
68.2001660 71.4268884 79.5879995 88.7443335 89.1920239
96.0784206 98.3765978 109.1393390 116.0282398 119.3328962
121.5596660 127.9265803 134.2490352 141.9735894 144.2699509
148.1419781 153.3146993 155.6474445 157.6260025 165.1074539
167.4897804 177.8129635 180.6868413 183.5308868 185.2955961
190.5846138 194.0970446 195.6685859 208.2827330 214.7298963
216.7184329 219.5793491 221.9463511 225.8527384 235.3183459
241.0838259 243.8891947 245.3093441 246.7731813 251.5328781
252.2593081 254.3080826 257.5507484 260.9122003 263.4682998
267.7135554 271.4071128 277.4736751 282.6901012 283.6674211
289.6082180 295.7842375 296.5994758 302.9394441 313.0239029
317.3521914 319.3075647 320.5282517 329.9082640 333.6091738
341.2254760 344.3637303 349.7264109 354.6087133 359.2207949
361.6587957 367.5472968 372.8701166 375.7687242 377.5439247
379.7996790 382.6884410 386.5313651 393.6609081 396.7708875
397.8449767 403.4119640 407.6717362 410.7510086 411.8967833
416.8247670 421.9535243 424.1536266 431.6974311 436.0576267
437.5175116 439.5705639 445.0323507 446.9806915 451.7588680
455.3418766
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4239
Rtb_to_modes> Number of blocs = 187
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: 9.9918E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9940E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.7959E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.7058E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.7499E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1067
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1431
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1942
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2402
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3122
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3415
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3944
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4326
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.5372
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.6679
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6746
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.7828
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.8207
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.010
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.142
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.208
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.253
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.388
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.528
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.709
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.765
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.861
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.993
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.054
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.107
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.312
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.379
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.681
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.769
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.856
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.912
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.080
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.195
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3.247
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.679
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.910
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.983
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 4.089
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 4.177
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 4.326
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 4.696
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 4.929
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 5.044
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 5.103
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 5.164
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 5.365
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 5.396
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 5.484
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 5.625
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 5.773
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 5.887
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 6.078
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 6.247
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 6.529
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 6.777
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 6.824
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 7.113
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 7.419
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 7.460
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 7.783
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 8.309
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 8.541
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 8.646
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 8.712
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 9.230
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 9.438
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 9.874
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 10.06
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 10.66
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 10.94
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 11.46
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 11.97
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 12.09
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 12.23
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 12.42
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 12.67
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 13.14
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 13.35
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 13.42
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 13.80
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 14.09
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 14.31
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 14.73
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 15.10
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 15.26
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 15.80
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 16.12
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 16.23
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 16.80
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 16.94
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 17.31
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 17.58
Rtb_to_modes> 106 vectors, with 1122 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00001
1.00001 0.99996 0.99996 0.99995 1.00001
0.99998 0.99999 0.99999 0.99998 0.99998
1.00001 1.00001 1.00005 1.00002 1.00000
0.99995 1.00001 0.99997 0.99998 1.00000
1.00001 0.99997 1.00004 0.99997 0.99999
1.00002 1.00001 1.00002 1.00002 0.99998
0.99997 0.99997 1.00003 1.00001 0.99999
1.00000 1.00002 1.00002 1.00001 0.99999
1.00004 1.00001 0.99999 1.00003 1.00005
0.99995 1.00000 0.99995 1.00003 1.00000
1.00003 0.99998 1.00001 0.99999 0.99998
1.00001 0.99998 0.99998 1.00000 1.00003
1.00002 1.00000 0.99997 0.99999 1.00000
1.00001 1.00001 1.00001 0.99999 0.99999
0.99996 0.99998 1.00002 1.00000 1.00000
1.00000 1.00000 1.00003 0.99999 0.99997
1.00002 0.99999 0.99999 1.00001 1.00001
0.99999 1.00000 1.00001 1.00004 1.00000
1.00001 0.99999 1.00001 1.00000 1.00000
1.00002 1.00003 1.00001 0.99999 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 76302 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00001
1.00001 0.99996 0.99996 0.99995 1.00001
0.99998 0.99999 0.99999 0.99998 0.99998
1.00001 1.00001 1.00005 1.00002 1.00000
0.99995 1.00001 0.99997 0.99998 1.00000
1.00001 0.99997 1.00004 0.99997 0.99999
1.00002 1.00001 1.00002 1.00002 0.99998
0.99997 0.99997 1.00003 1.00001 0.99999
1.00000 1.00002 1.00002 1.00001 0.99999
1.00004 1.00001 0.99999 1.00003 1.00005
0.99995 1.00000 0.99995 1.00003 1.00000
1.00003 0.99998 1.00001 0.99999 0.99998
1.00001 0.99998 0.99998 1.00000 1.00003
1.00002 1.00000 0.99997 0.99999 1.00000
1.00001 1.00001 1.00001 0.99999 0.99999
0.99996 0.99998 1.00002 1.00000 1.00000
1.00000 1.00000 1.00003 0.99999 0.99997
1.00002 0.99999 0.99999 1.00001 1.00001
0.99999 1.00000 1.00001 1.00004 1.00000
1.00001 0.99999 1.00001 1.00000 1.00000
1.00002 1.00003 1.00001 0.99999 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> 240123140932141002.eigenfacs
Openam> file on opening on unit 10:
240123140932141002.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240123140932141002.atom
Openam> file on opening on unit 11:
240123140932141002.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 = 559
First residue number = 1
Last residue number = 559
Number of atoms found = 4239
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9918E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-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: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7959E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7058E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7499E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3415
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 4.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 4.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 4.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 4.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 4.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 5.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 5.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 5.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 5.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 5.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 5.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 5.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 5.773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 5.887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 6.078
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 6.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 6.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 6.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 6.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 7.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 7.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 7.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 7.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 8.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 8.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 8.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 8.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 9.230
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 9.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 9.874
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 10.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 12.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 12.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 12.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 13.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 13.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 13.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 14.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 15.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 15.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 16.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 16.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 17.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Bfactors> 106 vectors, 12717 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 : 0.007796
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= -0.252 for 559 C-alpha atoms.
Bfactors> = 1.092 +/- 5.98
Bfactors> = 73.621 +/- 32.29
Bfactors> Shiftng-fct= 72.529
Bfactors> Scaling-fct= 5.401
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240123140932141002 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=0
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=100
240123140932141002.eigenfacs
240123140932141002.atom
making animated gifs
11 models are in 240123140932141002.7.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 240123140932141002.7.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 240123140932141002.7.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 240123140932141002 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=0
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=100
240123140932141002.eigenfacs
240123140932141002.atom
making animated gifs
11 models are in 240123140932141002.8.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 240123140932141002.8.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 240123140932141002.8.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 240123140932141002 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=0
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=100
240123140932141002.eigenfacs
240123140932141002.atom
making animated gifs
11 models are in 240123140932141002.9.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 240123140932141002.9.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 240123140932141002.9.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 240123140932141002 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=0
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=100
240123140932141002.eigenfacs
240123140932141002.atom
making animated gifs
11 models are in 240123140932141002.10.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 240123140932141002.10.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 240123140932141002.10.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 240123140932141002 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=-20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=0
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=20
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=40
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=60
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=80
240123140932141002.eigenfacs
240123140932141002.atom
calculating perturbed structure for DQ=100
240123140932141002.eigenfacs
240123140932141002.atom
making animated gifs
11 models are in 240123140932141002.11.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 240123140932141002.11.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 240123140932141002.11.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
240123140932141002.10.pdb
240123140932141002.11.pdb
240123140932141002.7.pdb
240123140932141002.8.pdb
240123140932141002.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.522s
user 0m25.454s
sys 0m0.068s
../../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: 240123140932141002.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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