*** VIRAL PROTEIN,HYDROLASE 23-DEC-09 3L6P ***
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 = 2402291203161102732.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 2402291203161102732.atom to be opened.
Openam> File opened: 2402291203161102732.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 = 196
First residue number = 3
Last residue number = 223
Number of atoms found = 1471
Mean number per residue = 7.5
Pdbmat> Coordinate statistics:
= -21.515105 +/- 8.002973 From: -42.179000 To: 3.161000
= -17.315186 +/- 10.996816 From: -47.312000 To: 16.865000
= 25.294810 +/- 11.329556 From: -3.954000 To: 47.097000
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 5.2581 % Filled.
Pdbmat> 512116 non-zero elements.
Pdbmat> 55930 atom-atom interactions.
Pdbmat> Number per atom= 76.04 +/- 28.03
Maximum number = 134
Minimum number = 13
Pdbmat> Matrix trace = 1.118600E+06
Pdbmat> Larger element = 519.662
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
196 non-zero elements, NRBL set to 1
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 = 2402291203161102732.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2402291203161102732.atom to be opened.
Openam> file on opening on unit 11:
2402291203161102732.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1471 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 196 residues.
Blocpdb> 10 atoms in block 1
Block first atom: 1
Blocpdb> 5 atoms in block 2
Block first atom: 11
Blocpdb> 5 atoms in block 3
Block first atom: 16
Blocpdb> 8 atoms in block 4
Block first atom: 21
Blocpdb> 8 atoms in block 5
Block first atom: 29
Blocpdb> 6 atoms in block 6
Block first atom: 37
Blocpdb> 8 atoms in block 7
Block first atom: 43
Blocpdb> 9 atoms in block 8
Block first atom: 51
Blocpdb> 9 atoms in block 9
Block first atom: 60
Blocpdb> 5 atoms in block 10
Block first atom: 69
Blocpdb> 5 atoms in block 11
Block first atom: 74
Blocpdb> 9 atoms in block 12
Block first atom: 79
Blocpdb> 7 atoms in block 13
Block first atom: 88
Blocpdb> 6 atoms in block 14
Block first atom: 95
Blocpdb> 14 atoms in block 15
Block first atom: 101
Blocpdb> 9 atoms in block 16
Block first atom: 115
Blocpdb> 5 atoms in block 17
Block first atom: 124
Blocpdb> 5 atoms in block 18
Block first atom: 129
Blocpdb> 5 atoms in block 19
Block first atom: 134
Blocpdb> 9 atoms in block 20
Block first atom: 139
Blocpdb> 10 atoms in block 21
Block first atom: 148
Blocpdb> 6 atoms in block 22
Block first atom: 158
Blocpdb> 4 atoms in block 23
Block first atom: 164
Blocpdb> 5 atoms in block 24
Block first atom: 168
Blocpdb> 6 atoms in block 25
Block first atom: 173
Blocpdb> 10 atoms in block 26
Block first atom: 179
Blocpdb> 8 atoms in block 27
Block first atom: 189
Blocpdb> 8 atoms in block 28
Block first atom: 197
Blocpdb> 8 atoms in block 29
Block first atom: 205
Blocpdb> 7 atoms in block 30
Block first atom: 213
Blocpdb> 9 atoms in block 31
Block first atom: 220
Blocpdb> 7 atoms in block 32
Block first atom: 229
Blocpdb> 9 atoms in block 33
Block first atom: 236
Blocpdb> 8 atoms in block 34
Block first atom: 245
Blocpdb> 8 atoms in block 35
Block first atom: 253
Blocpdb> 4 atoms in block 36
Block first atom: 261
Blocpdb> 7 atoms in block 37
Block first atom: 265
Blocpdb> 8 atoms in block 38
Block first atom: 272
Blocpdb> 9 atoms in block 39
Block first atom: 280
Blocpdb> 8 atoms in block 40
Block first atom: 289
Blocpdb> 4 atoms in block 41
Block first atom: 297
Blocpdb> 7 atoms in block 42
Block first atom: 301
Blocpdb> 8 atoms in block 43
Block first atom: 308
Blocpdb> 14 atoms in block 44
Block first atom: 316
Blocpdb> 8 atoms in block 45
Block first atom: 330
Blocpdb> 7 atoms in block 46
Block first atom: 338
Blocpdb> 7 atoms in block 47
Block first atom: 345
Blocpdb> 6 atoms in block 48
Block first atom: 352
Blocpdb> 7 atoms in block 49
Block first atom: 358
Blocpdb> 4 atoms in block 50
Block first atom: 365
Blocpdb> 8 atoms in block 51
Block first atom: 369
Blocpdb> 12 atoms in block 52
Block first atom: 377
Blocpdb> 11 atoms in block 53
Block first atom: 389
Blocpdb> 8 atoms in block 54
Block first atom: 400
Blocpdb> 8 atoms in block 55
Block first atom: 408
Blocpdb> 9 atoms in block 56
Block first atom: 416
Blocpdb> 11 atoms in block 57
Block first atom: 425
Blocpdb> 4 atoms in block 58
Block first atom: 436
Blocpdb> 8 atoms in block 59
Block first atom: 440
Blocpdb> 8 atoms in block 60
Block first atom: 448
Blocpdb> 4 atoms in block 61
Block first atom: 456
Blocpdb> 11 atoms in block 62
Block first atom: 460
Blocpdb> 6 atoms in block 63
Block first atom: 471
Blocpdb> 9 atoms in block 64
Block first atom: 477
Blocpdb> 7 atoms in block 65
Block first atom: 486
Blocpdb> 4 atoms in block 66
Block first atom: 493
Blocpdb> 7 atoms in block 67
Block first atom: 497
Blocpdb> 4 atoms in block 68
Block first atom: 504
Blocpdb> 7 atoms in block 69
Block first atom: 508
Blocpdb> 11 atoms in block 70
Block first atom: 515
Blocpdb> 9 atoms in block 71
Block first atom: 526
Blocpdb> 9 atoms in block 72
Block first atom: 535
Blocpdb> 4 atoms in block 73
Block first atom: 544
Blocpdb> 7 atoms in block 74
Block first atom: 548
Blocpdb> 11 atoms in block 75
Block first atom: 555
Blocpdb> 10 atoms in block 76
Block first atom: 566
Blocpdb> 7 atoms in block 77
Block first atom: 576
Blocpdb> 13 atoms in block 78
Block first atom: 583
Blocpdb> 14 atoms in block 79
Block first atom: 596
Blocpdb> 10 atoms in block 80
Block first atom: 610
Blocpdb> 7 atoms in block 81
Block first atom: 620
Blocpdb> 7 atoms in block 82
Block first atom: 627
Blocpdb> 19 atoms in block 83
Block first atom: 634
Blocpdb> 4 atoms in block 84
Block first atom: 653
Blocpdb> 5 atoms in block 85
Block first atom: 657
Blocpdb> 7 atoms in block 86
Block first atom: 662
Blocpdb> 8 atoms in block 87
Block first atom: 669
Blocpdb> 8 atoms in block 88
Block first atom: 677
Blocpdb> 12 atoms in block 89
Block first atom: 685
Blocpdb> 9 atoms in block 90
Block first atom: 697
Blocpdb> 4 atoms in block 91
Block first atom: 706
Blocpdb> 9 atoms in block 92
Block first atom: 710
Blocpdb> 11 atoms in block 93
Block first atom: 719
Blocpdb> 8 atoms in block 94
Block first atom: 730
Blocpdb> 9 atoms in block 95
Block first atom: 738
Blocpdb> 7 atoms in block 96
Block first atom: 747
Blocpdb> 6 atoms in block 97
Block first atom: 754
Blocpdb> 14 atoms in block 98
Block first atom: 760
Blocpdb> 5 atoms in block 99
Block first atom: 774
Blocpdb> 6 atoms in block 100
Block first atom: 779
Blocpdb> 7 atoms in block 101
Block first atom: 785
Blocpdb> 5 atoms in block 102
Block first atom: 792
Blocpdb> 9 atoms in block 103
Block first atom: 797
Blocpdb> 8 atoms in block 104
Block first atom: 806
Blocpdb> 8 atoms in block 105
Block first atom: 814
Blocpdb> 8 atoms in block 106
Block first atom: 822
Blocpdb> 6 atoms in block 107
Block first atom: 830
Blocpdb> 12 atoms in block 108
Block first atom: 836
Blocpdb> 4 atoms in block 109
Block first atom: 848
Blocpdb> 4 atoms in block 110
Block first atom: 852
Blocpdb> 4 atoms in block 111
Block first atom: 856
Blocpdb> 14 atoms in block 112
Block first atom: 860
Blocpdb> 19 atoms in block 113
Block first atom: 874
Blocpdb> 11 atoms in block 114
Block first atom: 893
Blocpdb> 9 atoms in block 115
Block first atom: 904
Blocpdb> 4 atoms in block 116
Block first atom: 913
Blocpdb> 6 atoms in block 117
Block first atom: 917
Blocpdb> 14 atoms in block 118
Block first atom: 923
Blocpdb> 8 atoms in block 119
Block first atom: 937
Blocpdb> 5 atoms in block 120
Block first atom: 945
Blocpdb> 4 atoms in block 121
Block first atom: 950
Blocpdb> 9 atoms in block 122
Block first atom: 954
Blocpdb> 9 atoms in block 123
Block first atom: 963
Blocpdb> 7 atoms in block 124
Block first atom: 972
Blocpdb> 9 atoms in block 125
Block first atom: 979
Blocpdb> 7 atoms in block 126
Block first atom: 988
Blocpdb> 8 atoms in block 127
Block first atom: 995
Blocpdb> 5 atoms in block 128
Block first atom: 1003
Blocpdb> 7 atoms in block 129
Block first atom: 1008
Blocpdb> 9 atoms in block 130
Block first atom: 1015
Blocpdb> 7 atoms in block 131
Block first atom: 1024
Blocpdb> 4 atoms in block 132
Block first atom: 1031
Blocpdb> 9 atoms in block 133
Block first atom: 1035
Blocpdb> 8 atoms in block 134
Block first atom: 1044
Blocpdb> 7 atoms in block 135
Block first atom: 1052
Blocpdb> 9 atoms in block 136
Block first atom: 1059
Blocpdb> 8 atoms in block 137
Block first atom: 1068
Blocpdb> 7 atoms in block 138
Block first atom: 1076
Blocpdb> 9 atoms in block 139
Block first atom: 1083
Blocpdb> 7 atoms in block 140
Block first atom: 1092
Blocpdb> 5 atoms in block 141
Block first atom: 1099
Blocpdb> 7 atoms in block 142
Block first atom: 1104
Blocpdb> 4 atoms in block 143
Block first atom: 1111
Blocpdb> 7 atoms in block 144
Block first atom: 1115
Blocpdb> 11 atoms in block 145
Block first atom: 1122
Blocpdb> 4 atoms in block 146
Block first atom: 1133
Blocpdb> 6 atoms in block 147
Block first atom: 1137
Blocpdb> 4 atoms in block 148
Block first atom: 1143
Blocpdb> 5 atoms in block 149
Block first atom: 1147
Blocpdb> 7 atoms in block 150
Block first atom: 1152
Blocpdb> 4 atoms in block 151
Block first atom: 1159
Blocpdb> 5 atoms in block 152
Block first atom: 1163
Blocpdb> 8 atoms in block 153
Block first atom: 1168
Blocpdb> 5 atoms in block 154
Block first atom: 1176
Blocpdb> 8 atoms in block 155
Block first atom: 1181
Blocpdb> 8 atoms in block 156
Block first atom: 1189
Blocpdb> 11 atoms in block 157
Block first atom: 1197
Blocpdb> 9 atoms in block 158
Block first atom: 1208
Blocpdb> 7 atoms in block 159
Block first atom: 1217
Blocpdb> 4 atoms in block 160
Block first atom: 1224
Blocpdb> 7 atoms in block 161
Block first atom: 1228
Blocpdb> 6 atoms in block 162
Block first atom: 1235
Blocpdb> 4 atoms in block 163
Block first atom: 1241
Blocpdb> 6 atoms in block 164
Block first atom: 1245
Blocpdb> 7 atoms in block 165
Block first atom: 1251
Blocpdb> 8 atoms in block 166
Block first atom: 1258
Blocpdb> 7 atoms in block 167
Block first atom: 1266
Blocpdb> 8 atoms in block 168
Block first atom: 1273
Blocpdb> 11 atoms in block 169
Block first atom: 1281
Blocpdb> 9 atoms in block 170
Block first atom: 1292
Blocpdb> 4 atoms in block 171
Block first atom: 1301
Blocpdb> 9 atoms in block 172
Block first atom: 1305
Blocpdb> 8 atoms in block 173
Block first atom: 1314
Blocpdb> 7 atoms in block 174
Block first atom: 1322
Blocpdb> 4 atoms in block 175
Block first atom: 1329
Blocpdb> 8 atoms in block 176
Block first atom: 1333
Blocpdb> 12 atoms in block 177
Block first atom: 1341
Blocpdb> 4 atoms in block 178
Block first atom: 1353
Blocpdb> 8 atoms in block 179
Block first atom: 1357
Blocpdb> 4 atoms in block 180
Block first atom: 1365
Blocpdb> 7 atoms in block 181
Block first atom: 1369
Blocpdb> 6 atoms in block 182
Block first atom: 1376
Blocpdb> 7 atoms in block 183
Block first atom: 1382
Blocpdb> 5 atoms in block 184
Block first atom: 1389
Blocpdb> 7 atoms in block 185
Block first atom: 1394
Blocpdb> 6 atoms in block 186
Block first atom: 1401
Blocpdb> 5 atoms in block 187
Block first atom: 1407
Blocpdb> 8 atoms in block 188
Block first atom: 1412
Blocpdb> 5 atoms in block 189
Block first atom: 1420
Blocpdb> 9 atoms in block 190
Block first atom: 1425
Blocpdb> 5 atoms in block 191
Block first atom: 1434
Blocpdb> 9 atoms in block 192
Block first atom: 1439
Blocpdb> 5 atoms in block 193
Block first atom: 1448
Blocpdb> 6 atoms in block 194
Block first atom: 1453
Blocpdb> 9 atoms in block 195
Block first atom: 1459
Blocpdb> 4 atoms in block 196
Block first atom: 1467
Blocpdb> 196 blocks.
Blocpdb> At most, 19 atoms in each of them.
Blocpdb> At least, 4 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> 512312 matrix lines read.
Prepmat> Matrix order = 4413
Prepmat> Matrix trace = 1118600.0000
Prepmat> Last element read: 4413 4413 59.3270
Prepmat> 19307 lines saved.
Prepmat> 16954 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: 1471
RTB> Total mass = 1471.0000
RTB> Number of atoms found in matrix: 1471
RTB> Number of blocks = 196
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 271136.7262
RTB> 81732 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 = 1176
Diagstd> Nb of non-zero elements: 81732
Diagstd> Projected matrix trace = 271136.7262
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1176 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 271136.7262
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 0.1357255 0.2585753 0.3683209 0.4551074
1.4048738 2.1864712 2.2701326 2.5238839 2.6602533
2.8499763 3.6250265 3.7099842 3.8666719 4.3569416
4.6543225 5.0085803 5.5891526 6.0878495 6.4215827
6.9874746 7.5987244 8.2664531 8.7839825 10.0654313
10.6123702 11.2014944 11.5985079 11.6573270 13.2643342
13.3548187 14.3891685 14.5884792 15.6653629 16.4209078
16.5753583 17.2648354 18.0731250 18.4603439 18.9268246
19.4392150 20.1930367 20.7495393 21.4480471 22.3933983
23.3130528 24.1902279 24.4859939 25.0890531 25.8038948
26.3270961 27.2901420 27.6661588 28.3707087 29.2313963
29.6412821 29.7490139 30.2326808 30.7050893 31.4927515
32.1189601 32.6512562 32.9778222 33.7608121 33.9775568
34.5115197 35.1450239 35.5934141 35.9862922 36.6296471
37.1728396 38.5998659 38.9201288 39.2152136 40.1379604
40.7777949 41.4409010 42.6434983 43.1721501 43.7671206
44.3853301 44.7887945 45.4782133 45.7468514 46.4563422
46.9360948 47.5407303 48.4130097 48.7910503 49.1027938
50.2254078 50.4881376 51.0194536 51.2222348 51.7524659
52.1181934 52.4894390 53.3239621 53.9297865 54.0571027
54.7364198
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034307 0.0034329 0.0034331 0.0034342 0.0034343
0.0034351 40.0060788 55.2190283 65.9034978 73.2575224
128.7104867 160.5710177 163.6141607 172.5162328 177.1155852
183.3225569 206.7525485 209.1612893 213.5324791 226.6658793
234.2736900 243.0259229 256.7250597 267.9336333 275.1796533
287.0485793 299.3406012 312.2158050 321.8407354 344.5176481
353.7540944 363.4404510 369.8250649 370.7616187 395.4922780
396.8389376 411.9202375 414.7632708 429.7991086 440.0417277
442.1063404 451.2076992 461.6490075 466.5682414 472.4263997
478.7785027 487.9733420 494.6517045 502.9087107 513.8723882
524.3181043 534.0910011 537.3461587 543.9229896 551.6173424
557.1815916 567.2809213 571.1756871 578.4027809 587.1107883
591.2127244 592.2861366 597.0814928 601.7283354 609.3973807
615.4262523 620.5049172 623.6002295 630.9598472 632.9819904
637.9363102 643.7647637 647.8584146 651.4241146 657.2213266
662.0764636 674.6649961 677.4580611 680.0213883 687.9754332
693.4372202 699.0526310 709.1231976 713.5051623 718.4048703
723.4608054 726.7415100 732.3133941 734.4730830 740.1466643
743.9585792 748.7351201 755.5728110 758.5170785 760.9364390
769.5857476 771.5959790 775.6453298 777.1852354 781.1974268
783.9528741 786.7400264 792.9695045 797.4613268 798.4020860
803.4030463
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1471
Rtb_to_modes> Number of blocs = 196
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: 9.9810E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9948E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1357
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2586
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3683
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4551
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.405
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.186
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.270
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.524
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.660
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.850
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.625
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.710
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.867
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.357
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.654
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.009
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.589
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.088
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.422
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.987
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.599
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 8.266
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.784
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 11.60
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 11.66
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 13.26
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 13.35
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 14.59
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 15.67
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 16.42
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 16.58
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 17.26
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.07
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.46
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 18.93
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.44
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 20.75
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 21.45
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 22.39
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 23.31
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 24.19
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 24.49
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 25.09
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 25.80
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 26.33
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.29
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 27.67
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 28.37
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 29.64
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 29.75
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 30.23
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 30.71
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 31.49
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 32.12
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.65
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 32.98
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.76
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 33.98
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.51
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 35.15
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 35.59
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 35.99
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 36.63
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.17
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 38.60
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 38.92
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 39.22
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 40.14
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 40.78
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 41.44
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 42.64
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 43.17
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 43.77
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 44.39
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 44.79
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 45.48
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 45.75
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 46.46
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 46.94
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 47.54
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 48.41
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 48.79
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 49.10
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 50.23
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 50.49
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.02
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 51.22
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 51.75
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 52.12
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 52.49
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 53.32
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 53.93
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 54.06
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 54.74
Rtb_to_modes> 106 vectors, with 1176 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 1.00004 1.00003 0.99998
0.99998 0.99998 1.00001 0.99994 1.00001
0.99996 1.00000 1.00002 1.00004 0.99999
1.00003 1.00003 0.99996 0.99999 0.99994
0.99999 0.99996 1.00000 1.00005 1.00002
0.99999 0.99996 0.99997 0.99996 1.00000
1.00000 0.99996 0.99999 1.00001 1.00002
0.99997 1.00002 0.99998 0.99996 1.00005
1.00001 0.99999 1.00001 0.99999 1.00000
1.00000 1.00005 1.00004 0.99999 1.00001
1.00002 1.00000 1.00005 1.00001 0.99999
0.99998 0.99999 1.00001 0.99998 1.00000
1.00000 0.99996 1.00001 1.00000 0.99998
0.99998 1.00001 1.00000 1.00001 1.00000
1.00000 1.00000 0.99998 1.00000 0.99997
0.99998 0.99999 1.00004 0.99999 1.00000
0.99998 1.00000 0.99998 1.00003 1.00000
0.99998 1.00000 1.00000 1.00001 1.00001
1.00001 0.99995 0.99997 1.00002 1.00001
0.99999 1.00001 1.00004 0.99998 1.00000
1.00003
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 26478 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00000 1.00001 1.00000
1.00000 1.00001 1.00004 1.00003 0.99998
0.99998 0.99998 1.00001 0.99994 1.00001
0.99996 1.00000 1.00002 1.00004 0.99999
1.00003 1.00003 0.99996 0.99999 0.99994
0.99999 0.99996 1.00000 1.00005 1.00002
0.99999 0.99996 0.99997 0.99996 1.00000
1.00000 0.99996 0.99999 1.00001 1.00002
0.99997 1.00002 0.99998 0.99996 1.00005
1.00001 0.99999 1.00001 0.99999 1.00000
1.00000 1.00005 1.00004 0.99999 1.00001
1.00002 1.00000 1.00005 1.00001 0.99999
0.99998 0.99999 1.00001 0.99998 1.00000
1.00000 0.99996 1.00001 1.00000 0.99998
0.99998 1.00001 1.00000 1.00001 1.00000
1.00000 1.00000 0.99998 1.00000 0.99997
0.99998 0.99999 1.00004 0.99999 1.00000
0.99998 1.00000 0.99998 1.00003 1.00000
0.99998 1.00000 1.00000 1.00001 1.00001
1.00001 0.99995 0.99997 1.00002 1.00001
0.99999 1.00001 1.00004 0.99998 1.00000
1.00003
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> 2402291203161102732.eigenfacs
Openam> file on opening on unit 10:
2402291203161102732.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402291203161102732.atom
Openam> file on opening on unit 11:
2402291203161102732.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 = 196
First residue number = 3
Last residue number = 223
Number of atoms found = 1471
Mean number per residue = 7.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9810E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.599
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 8.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 11.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 11.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 13.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 14.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 15.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 16.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 16.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 17.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 18.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 22.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 23.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 24.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 24.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 25.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 25.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 26.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 27.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 28.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 29.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 29.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 30.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 30.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 31.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 32.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 32.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 33.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 35.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 35.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 35.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 36.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 38.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 38.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 39.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 40.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 40.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 41.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 42.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 43.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 43.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 44.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 44.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 45.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 45.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 46.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 46.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 47.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 48.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 48.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 49.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 50.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 50.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 51.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 51.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 52.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 52.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 53.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 53.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 54.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 54.74
Bfactors> 106 vectors, 4413 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 : 0.135700
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= 0.489 for 199 C-alpha atoms.
Bfactors> = 0.229 +/- 0.60
Bfactors> = 44.857 +/- 11.90
Bfactors> Shiftng-fct= 44.628
Bfactors> Scaling-fct= 19.940
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402291203161102732 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=0
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=100
2402291203161102732.eigenfacs
2402291203161102732.atom
making animated gifs
11 models are in 2402291203161102732.7.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 2402291203161102732.7.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 2402291203161102732.7.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 2402291203161102732 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=0
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=100
2402291203161102732.eigenfacs
2402291203161102732.atom
making animated gifs
11 models are in 2402291203161102732.8.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 2402291203161102732.8.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 2402291203161102732.8.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 2402291203161102732 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=0
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=100
2402291203161102732.eigenfacs
2402291203161102732.atom
making animated gifs
11 models are in 2402291203161102732.9.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 2402291203161102732.9.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 2402291203161102732.9.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 2402291203161102732 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=0
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=100
2402291203161102732.eigenfacs
2402291203161102732.atom
making animated gifs
11 models are in 2402291203161102732.10.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 2402291203161102732.10.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 2402291203161102732.10.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 2402291203161102732 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=-20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=0
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=20
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=40
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=60
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=80
2402291203161102732.eigenfacs
2402291203161102732.atom
calculating perturbed structure for DQ=100
2402291203161102732.eigenfacs
2402291203161102732.atom
making animated gifs
11 models are in 2402291203161102732.11.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 2402291203161102732.11.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 2402291203161102732.11.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
2402291203161102732.10.pdb
2402291203161102732.11.pdb
2402291203161102732.7.pdb
2402291203161102732.8.pdb
2402291203161102732.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m21.398s
user 0m21.369s
sys 0m0.028s
../../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: 2402291203161102732.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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