*** SIGNALING PROTEIN/AGONIST 18-SEP-13 4MS3 ***
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 = 240126224211526392.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 240126224211526392.atom to be opened.
Openam> File opened: 240126224211526392.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 = 395
First residue number = 50
Last residue number = 465
Number of atoms found = 3164
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -22.334191 +/- 16.669373 From: -60.607000 To: 23.430000
= 13.809915 +/- 9.848539 From: -10.824000 To: 39.057000
= -30.315780 +/- 10.701604 From: -54.911000 To: -3.883000
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 2.6784 % Filled.
Pdbmat> 1206727 non-zero elements.
Pdbmat> 131992 atom-atom interactions.
Pdbmat> Number per atom= 83.43 +/- 22.81
Maximum number = 129
Minimum number = 11
Pdbmat> Matrix trace = 2.639840E+06
Pdbmat> Larger element = 508.026
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
395 non-zero elements, NRBL set to 2
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 = 240126224211526392.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 240126224211526392.atom to be opened.
Openam> file on opening on unit 11:
240126224211526392.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3164 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 395 residues.
Blocpdb> 22 atoms in block 1
Block first atom: 1
Blocpdb> 12 atoms in block 2
Block first atom: 23
Blocpdb> 20 atoms in block 3
Block first atom: 35
Blocpdb> 9 atoms in block 4
Block first atom: 55
Blocpdb> 19 atoms in block 5
Block first atom: 64
Blocpdb> 15 atoms in block 6
Block first atom: 83
Blocpdb> 10 atoms in block 7
Block first atom: 98
Blocpdb> 18 atoms in block 8
Block first atom: 108
Blocpdb> 11 atoms in block 9
Block first atom: 126
Blocpdb> 13 atoms in block 10
Block first atom: 137
Blocpdb> 11 atoms in block 11
Block first atom: 150
Blocpdb> 16 atoms in block 12
Block first atom: 161
Blocpdb> 12 atoms in block 13
Block first atom: 177
Blocpdb> 17 atoms in block 14
Block first atom: 189
Blocpdb> 13 atoms in block 15
Block first atom: 206
Blocpdb> 17 atoms in block 16
Block first atom: 219
Blocpdb> 15 atoms in block 17
Block first atom: 236
Blocpdb> 6 atoms in block 18
Block first atom: 251
Blocpdb> 21 atoms in block 19
Block first atom: 257
Blocpdb> 17 atoms in block 20
Block first atom: 278
Blocpdb> 16 atoms in block 21
Block first atom: 295
Blocpdb> 20 atoms in block 22
Block first atom: 311
Blocpdb> 14 atoms in block 23
Block first atom: 331
Blocpdb> 15 atoms in block 24
Block first atom: 345
Blocpdb> 15 atoms in block 25
Block first atom: 360
Blocpdb> 13 atoms in block 26
Block first atom: 375
Blocpdb> 12 atoms in block 27
Block first atom: 388
Blocpdb> 21 atoms in block 28
Block first atom: 400
Blocpdb> 20 atoms in block 29
Block first atom: 421
Blocpdb> 17 atoms in block 30
Block first atom: 441
Blocpdb> 20 atoms in block 31
Block first atom: 458
Blocpdb> 16 atoms in block 32
Block first atom: 478
Blocpdb> 15 atoms in block 33
Block first atom: 494
Blocpdb> 17 atoms in block 34
Block first atom: 509
Blocpdb> 16 atoms in block 35
Block first atom: 526
Blocpdb> 15 atoms in block 36
Block first atom: 542
Blocpdb> 10 atoms in block 37
Block first atom: 557
Blocpdb> 12 atoms in block 38
Block first atom: 567
Blocpdb> 13 atoms in block 39
Block first atom: 579
Blocpdb> 15 atoms in block 40
Block first atom: 592
Blocpdb> 12 atoms in block 41
Block first atom: 607
Blocpdb> 14 atoms in block 42
Block first atom: 619
Blocpdb> 16 atoms in block 43
Block first atom: 633
Blocpdb> 22 atoms in block 44
Block first atom: 649
Blocpdb> 16 atoms in block 45
Block first atom: 671
Blocpdb> 15 atoms in block 46
Block first atom: 687
Blocpdb> 14 atoms in block 47
Block first atom: 702
Blocpdb> 16 atoms in block 48
Block first atom: 716
Blocpdb> 12 atoms in block 49
Block first atom: 732
Blocpdb> 13 atoms in block 50
Block first atom: 744
Blocpdb> 13 atoms in block 51
Block first atom: 757
Blocpdb> 14 atoms in block 52
Block first atom: 770
Blocpdb> 20 atoms in block 53
Block first atom: 784
Blocpdb> 22 atoms in block 54
Block first atom: 804
Blocpdb> 14 atoms in block 55
Block first atom: 826
Blocpdb> 22 atoms in block 56
Block first atom: 840
Blocpdb> 18 atoms in block 57
Block first atom: 862
Blocpdb> 17 atoms in block 58
Block first atom: 880
Blocpdb> 11 atoms in block 59
Block first atom: 897
Blocpdb> 15 atoms in block 60
Block first atom: 908
Blocpdb> 18 atoms in block 61
Block first atom: 923
Blocpdb> 14 atoms in block 62
Block first atom: 941
Blocpdb> 18 atoms in block 63
Block first atom: 955
Blocpdb> 17 atoms in block 64
Block first atom: 973
Blocpdb> 20 atoms in block 65
Block first atom: 990
Blocpdb> 23 atoms in block 66
Block first atom: 1010
Blocpdb> 18 atoms in block 67
Block first atom: 1033
Blocpdb> 18 atoms in block 68
Block first atom: 1051
Blocpdb> 13 atoms in block 69
Block first atom: 1069
Blocpdb> 15 atoms in block 70
Block first atom: 1082
Blocpdb> 18 atoms in block 71
Block first atom: 1097
Blocpdb> 14 atoms in block 72
Block first atom: 1115
Blocpdb> 16 atoms in block 73
Block first atom: 1129
Blocpdb> 18 atoms in block 74
Block first atom: 1145
Blocpdb> 13 atoms in block 75
Block first atom: 1163
Blocpdb> 16 atoms in block 76
Block first atom: 1176
Blocpdb> 16 atoms in block 77
Block first atom: 1192
Blocpdb> 18 atoms in block 78
Block first atom: 1208
Blocpdb> 18 atoms in block 79
Block first atom: 1226
Blocpdb> 18 atoms in block 80
Block first atom: 1244
Blocpdb> 9 atoms in block 81
Block first atom: 1262
Blocpdb> 17 atoms in block 82
Block first atom: 1271
Blocpdb> 15 atoms in block 83
Block first atom: 1288
Blocpdb> 22 atoms in block 84
Block first atom: 1303
Blocpdb> 15 atoms in block 85
Block first atom: 1325
Blocpdb> 22 atoms in block 86
Block first atom: 1340
Blocpdb> 14 atoms in block 87
Block first atom: 1362
Blocpdb> 12 atoms in block 88
Block first atom: 1376
Blocpdb> 14 atoms in block 89
Block first atom: 1388
Blocpdb> 16 atoms in block 90
Block first atom: 1402
Blocpdb> 16 atoms in block 91
Block first atom: 1418
Blocpdb> 20 atoms in block 92
Block first atom: 1434
Blocpdb> 17 atoms in block 93
Block first atom: 1454
Blocpdb> 16 atoms in block 94
Block first atom: 1471
Blocpdb> 16 atoms in block 95
Block first atom: 1487
Blocpdb> 11 atoms in block 96
Block first atom: 1503
Blocpdb> 19 atoms in block 97
Block first atom: 1514
Blocpdb> 21 atoms in block 98
Block first atom: 1533
Blocpdb> 16 atoms in block 99
Block first atom: 1554
Blocpdb> 16 atoms in block 100
Block first atom: 1570
Blocpdb> 16 atoms in block 101
Block first atom: 1586
Blocpdb> 17 atoms in block 102
Block first atom: 1602
Blocpdb> 16 atoms in block 103
Block first atom: 1619
Blocpdb> 21 atoms in block 104
Block first atom: 1635
Blocpdb> 20 atoms in block 105
Block first atom: 1656
Blocpdb> 19 atoms in block 106
Block first atom: 1676
Blocpdb> 13 atoms in block 107
Block first atom: 1695
Blocpdb> 21 atoms in block 108
Block first atom: 1708
Blocpdb> 21 atoms in block 109
Block first atom: 1729
Blocpdb> 19 atoms in block 110
Block first atom: 1750
Blocpdb> 12 atoms in block 111
Block first atom: 1769
Blocpdb> 26 atoms in block 112
Block first atom: 1781
Blocpdb> 13 atoms in block 113
Block first atom: 1807
Blocpdb> 22 atoms in block 114
Block first atom: 1820
Blocpdb> 20 atoms in block 115
Block first atom: 1842
Blocpdb> 20 atoms in block 116
Block first atom: 1862
Blocpdb> 15 atoms in block 117
Block first atom: 1882
Blocpdb> 14 atoms in block 118
Block first atom: 1897
Blocpdb> 14 atoms in block 119
Block first atom: 1911
Blocpdb> 14 atoms in block 120
Block first atom: 1925
Blocpdb> 17 atoms in block 121
Block first atom: 1939
Blocpdb> 15 atoms in block 122
Block first atom: 1956
Blocpdb> 14 atoms in block 123
Block first atom: 1971
Blocpdb> 16 atoms in block 124
Block first atom: 1985
Blocpdb> 14 atoms in block 125
Block first atom: 2001
Blocpdb> 15 atoms in block 126
Block first atom: 2015
Blocpdb> 16 atoms in block 127
Block first atom: 2030
Blocpdb> 15 atoms in block 128
Block first atom: 2046
Blocpdb> 16 atoms in block 129
Block first atom: 2061
Blocpdb> 15 atoms in block 130
Block first atom: 2077
Blocpdb> 13 atoms in block 131
Block first atom: 2092
Blocpdb> 18 atoms in block 132
Block first atom: 2105
Blocpdb> 14 atoms in block 133
Block first atom: 2123
Blocpdb> 14 atoms in block 134
Block first atom: 2137
Blocpdb> 15 atoms in block 135
Block first atom: 2151
Blocpdb> 15 atoms in block 136
Block first atom: 2166
Blocpdb> 20 atoms in block 137
Block first atom: 2181
Blocpdb> 16 atoms in block 138
Block first atom: 2201
Blocpdb> 17 atoms in block 139
Block first atom: 2217
Blocpdb> 16 atoms in block 140
Block first atom: 2234
Blocpdb> 19 atoms in block 141
Block first atom: 2250
Blocpdb> 11 atoms in block 142
Block first atom: 2269
Blocpdb> 15 atoms in block 143
Block first atom: 2280
Blocpdb> 18 atoms in block 144
Block first atom: 2295
Blocpdb> 12 atoms in block 145
Block first atom: 2313
Blocpdb> 13 atoms in block 146
Block first atom: 2325
Blocpdb> 20 atoms in block 147
Block first atom: 2338
Blocpdb> 13 atoms in block 148
Block first atom: 2358
Blocpdb> 19 atoms in block 149
Block first atom: 2371
Blocpdb> 13 atoms in block 150
Block first atom: 2390
Blocpdb> 13 atoms in block 151
Block first atom: 2403
Blocpdb> 16 atoms in block 152
Block first atom: 2416
Blocpdb> 16 atoms in block 153
Block first atom: 2432
Blocpdb> 6 atoms in block 154
Block first atom: 2448
Blocpdb> 19 atoms in block 155
Block first atom: 2454
Blocpdb> 17 atoms in block 156
Block first atom: 2473
Blocpdb> 19 atoms in block 157
Block first atom: 2490
Blocpdb> 20 atoms in block 158
Block first atom: 2509
Blocpdb> 17 atoms in block 159
Block first atom: 2529
Blocpdb> 15 atoms in block 160
Block first atom: 2546
Blocpdb> 15 atoms in block 161
Block first atom: 2561
Blocpdb> 17 atoms in block 162
Block first atom: 2576
Blocpdb> 23 atoms in block 163
Block first atom: 2593
Blocpdb> 13 atoms in block 164
Block first atom: 2616
Blocpdb> 14 atoms in block 165
Block first atom: 2629
Blocpdb> 12 atoms in block 166
Block first atom: 2643
Blocpdb> 20 atoms in block 167
Block first atom: 2655
Blocpdb> 11 atoms in block 168
Block first atom: 2675
Blocpdb> 10 atoms in block 169
Block first atom: 2686
Blocpdb> 17 atoms in block 170
Block first atom: 2696
Blocpdb> 18 atoms in block 171
Block first atom: 2713
Blocpdb> 13 atoms in block 172
Block first atom: 2731
Blocpdb> 10 atoms in block 173
Block first atom: 2744
Blocpdb> 17 atoms in block 174
Block first atom: 2754
Blocpdb> 13 atoms in block 175
Block first atom: 2771
Blocpdb> 21 atoms in block 176
Block first atom: 2784
Blocpdb> 16 atoms in block 177
Block first atom: 2805
Blocpdb> 18 atoms in block 178
Block first atom: 2821
Blocpdb> 17 atoms in block 179
Block first atom: 2839
Blocpdb> 8 atoms in block 180
Block first atom: 2856
Blocpdb> 18 atoms in block 181
Block first atom: 2864
Blocpdb> 18 atoms in block 182
Block first atom: 2882
Blocpdb> 12 atoms in block 183
Block first atom: 2900
Blocpdb> 24 atoms in block 184
Block first atom: 2912
Blocpdb> 14 atoms in block 185
Block first atom: 2936
Blocpdb> 16 atoms in block 186
Block first atom: 2950
Blocpdb> 16 atoms in block 187
Block first atom: 2966
Blocpdb> 14 atoms in block 188
Block first atom: 2982
Blocpdb> 20 atoms in block 189
Block first atom: 2996
Blocpdb> 16 atoms in block 190
Block first atom: 3016
Blocpdb> 17 atoms in block 191
Block first atom: 3032
Blocpdb> 22 atoms in block 192
Block first atom: 3049
Blocpdb> 8 atoms in block 193
Block first atom: 3071
Blocpdb> 13 atoms in block 194
Block first atom: 3079
Blocpdb> 12 atoms in block 195
Block first atom: 3092
Blocpdb> 16 atoms in block 196
Block first atom: 3104
Blocpdb> 21 atoms in block 197
Block first atom: 3120
Blocpdb> 16 atoms in block 198
Block first atom: 3141
Blocpdb> 8 atoms in block 199
Block first atom: 3156
Blocpdb> 199 blocks.
Blocpdb> At most, 26 atoms in each of them.
Blocpdb> At least, 6 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1206926 matrix lines read.
Prepmat> Matrix order = 9492
Prepmat> Matrix trace = 2639840.0000
Prepmat> Last element read: 9492 9492 35.7848
Prepmat> 19901 lines saved.
Prepmat> 17638 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: 3164
RTB> Total mass = 3164.0000
RTB> Number of atoms found in matrix: 3164
RTB> Number of blocks = 199
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 282981.8002
RTB> 78447 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 = 1194
Diagstd> Nb of non-zero elements: 78447
Diagstd> Projected matrix trace = 282981.8002
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1194 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 282981.8002
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 0.5420096 1.5213340 1.8186172 2.0428312
2.9128240 5.5773690 5.8382468 6.9013381 7.1435050
9.8617515 10.5264384 10.6668681 11.3095261 11.7581860
13.8806605 14.2258231 15.0205853 15.4289002 15.9919031
16.8004431 18.1220206 19.0223789 20.4406299 20.8042808
21.2567611 21.6221543 21.7425365 22.4617430 22.7744946
23.5162668 24.1583574 25.3009147 25.4316285 25.9659051
27.1763677 28.0151383 28.5178458 28.8378604 29.4557994
29.4745659 30.0896362 30.5668277 30.6783572 31.0261355
31.9923429 32.1873221 33.0070021 33.3794259 34.2498038
34.5690956 35.1263280 36.0160385 36.1092540 36.5980106
37.0303910 37.8728939 39.7603524 40.6103687 40.8184933
41.7479793 42.4226278 42.6094237 43.6462742 44.7224595
45.4264179 45.7045172 46.1609210 46.8582527 47.3257960
47.6481632 48.1078465 49.4148457 49.6064073 50.2691804
50.8324130 51.1777474 51.8546585 52.6666576 52.8149345
53.6945457 54.3371130 54.6900664 55.2305459 55.4027137
56.3166887 56.8396240 57.1847192 58.2493239 58.5809314
59.0689479 59.9390334 60.4637590 61.3091648 61.4447405
62.0169410 63.0240373 63.3245524 64.0509476 64.2759766
65.0910580
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034298 0.0034328 0.0034329 0.0034330 0.0034335
0.0034345 79.9463709 133.9391575 146.4420915 155.2070783
185.3328493 256.4542900 262.3834908 285.2738288 290.2357832
341.0140772 352.3189530 354.6612517 365.1888286 372.3620761
404.5762148 409.5755119 420.8610251 426.5429466 434.2555279
445.0980063 462.2730662 473.6174486 490.9558262 495.3037698
500.6610739 504.9457967 506.3494985 514.6559611 518.2265438
526.5983210 533.7390536 546.2147092 547.6238648 553.3463031
566.0971717 574.7667891 579.9007072 583.1453240 589.3600412
589.5477539 595.6672847 600.3720486 601.4663437 604.8659297
614.2120091 616.0808410 623.8760595 627.3858387 635.5128324
638.4682262 643.5935109 651.6932930 652.5360929 656.9374491
660.8066868 668.2816343 684.7316346 692.0121930 693.7831775
701.6378514 707.2843748 708.8398265 717.4123834 726.2031361
731.8962575 734.1331634 737.7895727 743.3414068 747.0406662
749.5806413 753.1877339 763.3505136 764.8286848 769.9210303
774.2222416 776.8476630 781.9683394 788.0670306 789.1756071
795.7201696 800.4672359 803.0627941 807.0212084 808.2780761
814.9178600 818.6926252 821.1741636 828.7827910 831.1385310
834.5933079 840.7176165 844.3895541 850.2722004 851.2118041
855.1660493 862.0816290 864.1345005 869.0766066 870.6019232
876.1045697
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3164
Rtb_to_modes> Number of blocs = 199
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: 9.9756E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9939E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.5420
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.521
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.819
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.043
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.913
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.577
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.838
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.901
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.144
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.862
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.53
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.67
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.31
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.76
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.88
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.23
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.43
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.99
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.80
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.12
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 19.02
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.44
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.80
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.26
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 21.62
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 21.74
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 22.46
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 22.77
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.52
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 24.16
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 25.30
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 25.43
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 25.97
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 27.18
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 28.02
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 28.52
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 28.84
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 29.46
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 29.47
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 30.09
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 30.57
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 30.68
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 31.03
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 31.99
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 32.19
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 33.01
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 33.38
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 34.25
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 34.57
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 35.13
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 36.02
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 36.60
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 37.03
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 37.87
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 39.76
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 40.61
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 40.82
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 41.75
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 42.42
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 42.61
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 43.65
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 44.72
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 45.43
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 45.70
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 46.16
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 46.86
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 47.33
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 47.65
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 48.11
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 49.41
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 49.61
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 50.27
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 50.83
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 51.18
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 51.85
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 52.67
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 52.81
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 53.69
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 54.34
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 54.69
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 55.23
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 55.40
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 56.32
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 56.84
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 57.18
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 58.25
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 58.58
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 59.07
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 59.94
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 60.46
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 61.31
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 61.44
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 62.02
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 63.02
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.32
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 64.05
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 64.28
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 65.09
Rtb_to_modes> 106 vectors, with 1194 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 1.00000
1.00000 1.00005 1.00001 1.00002 1.00002
1.00003 1.00001 0.99998 0.99998 1.00002
1.00001 1.00000 0.99999 0.99997 1.00002
1.00002 1.00001 0.99996 1.00000 1.00001
0.99999 0.99999 1.00002 1.00000 0.99999
1.00000 1.00001 1.00002 1.00001 0.99997
1.00001 1.00002 1.00001 0.99998 0.99998
1.00002 0.99998 0.99999 1.00002 0.99996
1.00001 0.99998 1.00000 0.99998 0.99999
0.99998 1.00002 0.99999 1.00000 1.00002
1.00001 0.99999 1.00001 1.00000 1.00004
1.00002 1.00001 1.00002 1.00001 1.00000
1.00000 1.00002 1.00003 1.00000 0.99999
1.00001 1.00001 1.00001 0.99999 1.00000
0.99998 0.99999 1.00001 1.00000 0.99999
1.00001 1.00000 1.00000 1.00002 0.99999
1.00000 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 0.99999 1.00001 1.00000
1.00000 0.99999 1.00001 1.00001 1.00001
1.00002 1.00001 1.00002 0.99999 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 56952 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00000 1.00000
1.00000 1.00005 1.00001 1.00002 1.00002
1.00003 1.00001 0.99998 0.99998 1.00002
1.00001 1.00000 0.99999 0.99997 1.00002
1.00002 1.00001 0.99996 1.00000 1.00001
0.99999 0.99999 1.00002 1.00000 0.99999
1.00000 1.00001 1.00002 1.00001 0.99997
1.00001 1.00002 1.00001 0.99998 0.99998
1.00002 0.99998 0.99999 1.00002 0.99996
1.00001 0.99998 1.00000 0.99998 0.99999
0.99998 1.00002 0.99999 1.00000 1.00002
1.00001 0.99999 1.00001 1.00000 1.00004
1.00002 1.00001 1.00002 1.00001 1.00000
1.00000 1.00002 1.00003 1.00000 0.99999
1.00001 1.00001 1.00001 0.99999 1.00000
0.99998 0.99999 1.00001 1.00000 0.99999
1.00001 1.00000 1.00000 1.00002 0.99999
1.00000 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 0.99999 1.00001 1.00000
1.00000 0.99999 1.00001 1.00001 1.00001
1.00002 1.00001 1.00002 0.99999 1.00001
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000-0.000 0.000 0.000-0.000 0.000
Vector 8: 0.000 0.000 0.000 0.000 0.000 0.000-0.000
Vector 9:-0.000 0.000 0.000 0.000-0.000-0.000 0.000-0.000
Vector 10: 0.000 0.000-0.000-0.000-0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240126224211526392.eigenfacs
Openam> file on opening on unit 10:
240126224211526392.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240126224211526392.atom
Openam> file on opening on unit 11:
240126224211526392.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 = 395
First residue number = 50
Last residue number = 465
Number of atoms found = 3164
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9756E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.901
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 19.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 21.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 21.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 22.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 22.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 24.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 25.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 25.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 25.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 27.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 28.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 28.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 28.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 29.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 29.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 30.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 30.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 30.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 31.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 31.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 32.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 33.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 33.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 34.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 34.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 35.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 36.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 36.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 37.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 37.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 39.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 40.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 40.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 41.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 42.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 42.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 43.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 44.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 45.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 45.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 46.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 46.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 47.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 47.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 48.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 49.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 49.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 50.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 50.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 51.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 51.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 52.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 52.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 53.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 54.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 54.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 55.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 55.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 56.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 56.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 57.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 58.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 58.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 59.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 59.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 60.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 61.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 61.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 62.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 63.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 64.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 64.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 65.09
Bfactors> 106 vectors, 9492 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 : 0.542000
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= 0.110 for 395 C-alpha atoms.
Bfactors> = 0.032 +/- 0.12
Bfactors> = 39.367 +/- 15.98
Bfactors> Shiftng-fct= 39.336
Bfactors> Scaling-fct= 128.621
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240126224211526392 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=0
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=100
240126224211526392.eigenfacs
240126224211526392.atom
making animated gifs
11 models are in 240126224211526392.7.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 240126224211526392.7.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 240126224211526392.7.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 240126224211526392 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=0
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=100
240126224211526392.eigenfacs
240126224211526392.atom
making animated gifs
11 models are in 240126224211526392.8.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 240126224211526392.8.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 240126224211526392.8.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 240126224211526392 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=0
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=100
240126224211526392.eigenfacs
240126224211526392.atom
making animated gifs
11 models are in 240126224211526392.9.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 240126224211526392.9.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 240126224211526392.9.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 240126224211526392 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=0
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=100
240126224211526392.eigenfacs
240126224211526392.atom
making animated gifs
11 models are in 240126224211526392.10.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 240126224211526392.10.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 240126224211526392.10.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 240126224211526392 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=-20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=0
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=20
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=40
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=60
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=80
240126224211526392.eigenfacs
240126224211526392.atom
calculating perturbed structure for DQ=100
240126224211526392.eigenfacs
240126224211526392.atom
making animated gifs
11 models are in 240126224211526392.11.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 240126224211526392.11.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 240126224211526392.11.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
240126224211526392.10.pdb
240126224211526392.11.pdb
240126224211526392.7.pdb
240126224211526392.8.pdb
240126224211526392.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.889s
user 0m25.817s
sys 0m0.044s
../../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: 240126224211526392.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.
|
