*** STRUCTURAL PROTEIN 28-FEB-12 4DXT ***
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 = 2403172319083633921.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 2403172319083633921.atom to be opened.
Openam> File opened: 2403172319083633921.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 = 198
First residue number = 520
Last residue number = 717
Number of atoms found = 1591
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -7.094205 +/- 11.428597 From: -32.193000 To: 21.834000
= 30.919659 +/- 9.213422 From: 13.341000 To: 56.659000
= 13.126256 +/- 11.670857 From: -28.790000 To: 36.378000
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 4.9301 % Filled.
Pdbmat> 561697 non-zero elements.
Pdbmat> 61364 atom-atom interactions.
Pdbmat> Number per atom= 77.14 +/- 25.15
Maximum number = 129
Minimum number = 15
Pdbmat> Matrix trace = 1.227280E+06
Pdbmat> Larger element = 493.842
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
198 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 = 2403172319083633921.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 2403172319083633921.atom to be opened.
Openam> file on opening on unit 11:
2403172319083633921.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1591 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> 198 residues.
Blocpdb> 4 atoms in block 1
Block first atom: 1
Blocpdb> 7 atoms in block 2
Block first atom: 5
Blocpdb> 4 atoms in block 3
Block first atom: 12
Blocpdb> 7 atoms in block 4
Block first atom: 16
Blocpdb> 7 atoms in block 5
Block first atom: 23
Blocpdb> 9 atoms in block 6
Block first atom: 30
Blocpdb> 9 atoms in block 7
Block first atom: 39
Blocpdb> 9 atoms in block 8
Block first atom: 48
Blocpdb> 7 atoms in block 9
Block first atom: 57
Blocpdb> 10 atoms in block 10
Block first atom: 64
Blocpdb> 17 atoms in block 11
Block first atom: 74
Blocpdb> 8 atoms in block 12
Block first atom: 91
Blocpdb> 7 atoms in block 13
Block first atom: 99
Blocpdb> 9 atoms in block 14
Block first atom: 106
Blocpdb> 9 atoms in block 15
Block first atom: 115
Blocpdb> 5 atoms in block 16
Block first atom: 124
Blocpdb> 8 atoms in block 17
Block first atom: 129
Blocpdb> 9 atoms in block 18
Block first atom: 137
Blocpdb> 11 atoms in block 19
Block first atom: 146
Blocpdb> 12 atoms in block 20
Block first atom: 157
Blocpdb> 6 atoms in block 21
Block first atom: 169
Blocpdb> 9 atoms in block 22
Block first atom: 175
Blocpdb> 8 atoms in block 23
Block first atom: 184
Blocpdb> 11 atoms in block 24
Block first atom: 192
Blocpdb> 8 atoms in block 25
Block first atom: 203
Blocpdb> 4 atoms in block 26
Block first atom: 211
Blocpdb> 8 atoms in block 27
Block first atom: 215
Blocpdb> 5 atoms in block 28
Block first atom: 223
Blocpdb> 8 atoms in block 29
Block first atom: 228
Blocpdb> 12 atoms in block 30
Block first atom: 236
Blocpdb> 5 atoms in block 31
Block first atom: 248
Blocpdb> 8 atoms in block 32
Block first atom: 253
Blocpdb> 9 atoms in block 33
Block first atom: 261
Blocpdb> 6 atoms in block 34
Block first atom: 270
Blocpdb> 4 atoms in block 35
Block first atom: 276
Blocpdb> 4 atoms in block 36
Block first atom: 280
Blocpdb> 5 atoms in block 37
Block first atom: 284
Blocpdb> 6 atoms in block 38
Block first atom: 289
Blocpdb> 7 atoms in block 39
Block first atom: 295
Blocpdb> 8 atoms in block 40
Block first atom: 302
Blocpdb> 6 atoms in block 41
Block first atom: 310
Blocpdb> 7 atoms in block 42
Block first atom: 316
Blocpdb> 11 atoms in block 43
Block first atom: 323
Blocpdb> 6 atoms in block 44
Block first atom: 334
Blocpdb> 6 atoms in block 45
Block first atom: 340
Blocpdb> 9 atoms in block 46
Block first atom: 346
Blocpdb> 7 atoms in block 47
Block first atom: 355
Blocpdb> 12 atoms in block 48
Block first atom: 362
Blocpdb> 9 atoms in block 49
Block first atom: 374
Blocpdb> 7 atoms in block 50
Block first atom: 383
Blocpdb> 9 atoms in block 51
Block first atom: 390
Blocpdb> 7 atoms in block 52
Block first atom: 399
Blocpdb> 5 atoms in block 53
Block first atom: 406
Blocpdb> 8 atoms in block 54
Block first atom: 411
Blocpdb> 8 atoms in block 55
Block first atom: 419
Blocpdb> 6 atoms in block 56
Block first atom: 427
Blocpdb> 8 atoms in block 57
Block first atom: 433
Blocpdb> 11 atoms in block 58
Block first atom: 441
Blocpdb> 4 atoms in block 59
Block first atom: 452
Blocpdb> 8 atoms in block 60
Block first atom: 456
Blocpdb> 7 atoms in block 61
Block first atom: 464
Blocpdb> 8 atoms in block 62
Block first atom: 471
Blocpdb> 14 atoms in block 63
Block first atom: 479
Blocpdb> 12 atoms in block 64
Block first atom: 493
Blocpdb> 17 atoms in block 65
Block first atom: 505
Blocpdb> 6 atoms in block 66
Block first atom: 522
Blocpdb> 9 atoms in block 67
Block first atom: 528
Blocpdb> 6 atoms in block 68
Block first atom: 537
Blocpdb> 7 atoms in block 69
Block first atom: 543
Blocpdb> 11 atoms in block 70
Block first atom: 550
Blocpdb> 7 atoms in block 71
Block first atom: 561
Blocpdb> 8 atoms in block 72
Block first atom: 568
Blocpdb> 8 atoms in block 73
Block first atom: 576
Blocpdb> 9 atoms in block 74
Block first atom: 584
Blocpdb> 7 atoms in block 75
Block first atom: 593
Blocpdb> 8 atoms in block 76
Block first atom: 600
Blocpdb> 7 atoms in block 77
Block first atom: 608
Blocpdb> 10 atoms in block 78
Block first atom: 615
Blocpdb> 7 atoms in block 79
Block first atom: 625
Blocpdb> 4 atoms in block 80
Block first atom: 632
Blocpdb> 8 atoms in block 81
Block first atom: 636
Blocpdb> 6 atoms in block 82
Block first atom: 644
Blocpdb> 14 atoms in block 83
Block first atom: 650
Blocpdb> 5 atoms in block 84
Block first atom: 664
Blocpdb> 11 atoms in block 85
Block first atom: 669
Blocpdb> 9 atoms in block 86
Block first atom: 680
Blocpdb> 4 atoms in block 87
Block first atom: 689
Blocpdb> 7 atoms in block 88
Block first atom: 693
Blocpdb> 9 atoms in block 89
Block first atom: 700
Blocpdb> 4 atoms in block 90
Block first atom: 709
Blocpdb> 11 atoms in block 91
Block first atom: 713
Blocpdb> 5 atoms in block 92
Block first atom: 724
Blocpdb> 7 atoms in block 93
Block first atom: 729
Blocpdb> 7 atoms in block 94
Block first atom: 736
Blocpdb> 11 atoms in block 95
Block first atom: 743
Blocpdb> 8 atoms in block 96
Block first atom: 754
Blocpdb> 6 atoms in block 97
Block first atom: 762
Blocpdb> 5 atoms in block 98
Block first atom: 768
Blocpdb> 11 atoms in block 99
Block first atom: 773
Blocpdb> 8 atoms in block 100
Block first atom: 784
Blocpdb> 11 atoms in block 101
Block first atom: 792
Blocpdb> 7 atoms in block 102
Block first atom: 803
Blocpdb> 7 atoms in block 103
Block first atom: 810
Blocpdb> 5 atoms in block 104
Block first atom: 817
Blocpdb> 7 atoms in block 105
Block first atom: 822
Blocpdb> 7 atoms in block 106
Block first atom: 829
Blocpdb> 8 atoms in block 107
Block first atom: 836
Blocpdb> 9 atoms in block 108
Block first atom: 844
Blocpdb> 10 atoms in block 109
Block first atom: 853
Blocpdb> 7 atoms in block 110
Block first atom: 863
Blocpdb> 7 atoms in block 111
Block first atom: 870
Blocpdb> 9 atoms in block 112
Block first atom: 877
Blocpdb> 5 atoms in block 113
Block first atom: 886
Blocpdb> 8 atoms in block 114
Block first atom: 891
Blocpdb> 9 atoms in block 115
Block first atom: 899
Blocpdb> 7 atoms in block 116
Block first atom: 908
Blocpdb> 8 atoms in block 117
Block first atom: 915
Blocpdb> 6 atoms in block 118
Block first atom: 923
Blocpdb> 7 atoms in block 119
Block first atom: 929
Blocpdb> 8 atoms in block 120
Block first atom: 936
Blocpdb> 6 atoms in block 121
Block first atom: 944
Blocpdb> 6 atoms in block 122
Block first atom: 950
Blocpdb> 5 atoms in block 123
Block first atom: 956
Blocpdb> 7 atoms in block 124
Block first atom: 961
Blocpdb> 9 atoms in block 125
Block first atom: 968
Blocpdb> 8 atoms in block 126
Block first atom: 977
Blocpdb> 11 atoms in block 127
Block first atom: 985
Blocpdb> 5 atoms in block 128
Block first atom: 996
Blocpdb> 8 atoms in block 129
Block first atom: 1001
Blocpdb> 11 atoms in block 130
Block first atom: 1009
Blocpdb> 4 atoms in block 131
Block first atom: 1020
Blocpdb> 11 atoms in block 132
Block first atom: 1024
Blocpdb> 8 atoms in block 133
Block first atom: 1035
Blocpdb> 9 atoms in block 134
Block first atom: 1043
Blocpdb> 8 atoms in block 135
Block first atom: 1052
Blocpdb> 8 atoms in block 136
Block first atom: 1060
Blocpdb> 9 atoms in block 137
Block first atom: 1068
Blocpdb> 9 atoms in block 138
Block first atom: 1077
Blocpdb> 9 atoms in block 139
Block first atom: 1086
Blocpdb> 4 atoms in block 140
Block first atom: 1095
Blocpdb> 7 atoms in block 141
Block first atom: 1099
Blocpdb> 8 atoms in block 142
Block first atom: 1106
Blocpdb> 8 atoms in block 143
Block first atom: 1114
Blocpdb> 4 atoms in block 144
Block first atom: 1122
Blocpdb> 9 atoms in block 145
Block first atom: 1126
Blocpdb> 11 atoms in block 146
Block first atom: 1135
Blocpdb> 7 atoms in block 147
Block first atom: 1146
Blocpdb> 12 atoms in block 148
Block first atom: 1153
Blocpdb> 8 atoms in block 149
Block first atom: 1165
Blocpdb> 9 atoms in block 150
Block first atom: 1173
Blocpdb> 8 atoms in block 151
Block first atom: 1182
Blocpdb> 4 atoms in block 152
Block first atom: 1190
Blocpdb> 9 atoms in block 153
Block first atom: 1194
Blocpdb> 7 atoms in block 154
Block first atom: 1203
Blocpdb> 8 atoms in block 155
Block first atom: 1210
Blocpdb> 9 atoms in block 156
Block first atom: 1218
Blocpdb> 7 atoms in block 157
Block first atom: 1227
Blocpdb> 11 atoms in block 158
Block first atom: 1234
Blocpdb> 10 atoms in block 159
Block first atom: 1245
Blocpdb> 11 atoms in block 160
Block first atom: 1255
Blocpdb> 15 atoms in block 161
Block first atom: 1266
Blocpdb> 5 atoms in block 162
Block first atom: 1281
Blocpdb> 7 atoms in block 163
Block first atom: 1286
Blocpdb> 7 atoms in block 164
Block first atom: 1293
Blocpdb> 8 atoms in block 165
Block first atom: 1300
Blocpdb> 5 atoms in block 166
Block first atom: 1308
Blocpdb> 7 atoms in block 167
Block first atom: 1313
Blocpdb> 12 atoms in block 168
Block first atom: 1320
Blocpdb> 9 atoms in block 169
Block first atom: 1332
Blocpdb> 7 atoms in block 170
Block first atom: 1341
Blocpdb> 7 atoms in block 171
Block first atom: 1348
Blocpdb> 9 atoms in block 172
Block first atom: 1355
Blocpdb> 8 atoms in block 173
Block first atom: 1364
Blocpdb> 11 atoms in block 174
Block first atom: 1372
Blocpdb> 8 atoms in block 175
Block first atom: 1383
Blocpdb> 8 atoms in block 176
Block first atom: 1391
Blocpdb> 7 atoms in block 177
Block first atom: 1399
Blocpdb> 8 atoms in block 178
Block first atom: 1406
Blocpdb> 14 atoms in block 179
Block first atom: 1414
Blocpdb> 4 atoms in block 180
Block first atom: 1428
Blocpdb> 10 atoms in block 181
Block first atom: 1432
Blocpdb> 7 atoms in block 182
Block first atom: 1442
Blocpdb> 9 atoms in block 183
Block first atom: 1449
Blocpdb> 12 atoms in block 184
Block first atom: 1458
Blocpdb> 7 atoms in block 185
Block first atom: 1470
Blocpdb> 9 atoms in block 186
Block first atom: 1477
Blocpdb> 8 atoms in block 187
Block first atom: 1486
Blocpdb> 12 atoms in block 188
Block first atom: 1494
Blocpdb> 11 atoms in block 189
Block first atom: 1506
Blocpdb> 11 atoms in block 190
Block first atom: 1517
Blocpdb> 11 atoms in block 191
Block first atom: 1528
Blocpdb> 7 atoms in block 192
Block first atom: 1539
Blocpdb> 10 atoms in block 193
Block first atom: 1546
Blocpdb> 4 atoms in block 194
Block first atom: 1556
Blocpdb> 9 atoms in block 195
Block first atom: 1560
Blocpdb> 7 atoms in block 196
Block first atom: 1569
Blocpdb> 5 atoms in block 197
Block first atom: 1576
Blocpdb> 11 atoms in block 198
Block first atom: 1580
Blocpdb> 198 blocks.
Blocpdb> At most, 17 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> 561895 matrix lines read.
Prepmat> Matrix order = 4773
Prepmat> Matrix trace = 1227280.0000
Prepmat> Last element read: 4773 4773 99.3891
Prepmat> 19702 lines saved.
Prepmat> 17351 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: 1591
RTB> Total mass = 1591.0000
RTB> Number of atoms found in matrix: 1591
RTB> Number of blocks = 198
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 277893.1176
RTB> 81630 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1188
Diagstd> Nb of non-zero elements: 81630
Diagstd> Projected matrix trace = 277893.1176
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1188 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 277893.1176
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 0.1337908 0.1580354 0.6417602 0.9751752
1.2653249 1.8472800 1.8918552 2.3024203 2.5015819
3.0692275 3.9903766 4.5538102 5.4766998 5.8149695
6.3404148 6.4895769 7.3142684 7.7009703 8.9137892
9.8560981 10.0311610 10.6357388 12.4311489 12.5878823
13.4087078 13.6976634 14.5692508 15.2809766 15.6453172
16.4302235 17.3382296 17.9477438 18.6646796 18.9653051
20.0753721 20.5076943 21.6291169 22.9066288 23.2827624
23.9709584 24.6369183 24.8203834 25.6976702 26.0266106
26.6936074 27.5909807 27.7207511 28.3239537 28.7761704
29.1533325 29.9467544 30.7037650 30.9257636 31.8890343
32.3816299 33.4676737 34.1928811 34.8417150 35.3894046
35.7850305 36.7275999 37.2170566 37.9671268 38.2986636
38.5930209 39.5142917 40.5066175 40.7417179 41.8563671
43.2439640 43.5380795 43.6073489 44.1798398 44.8896776
45.3122255 46.1534323 46.3760658 47.1470662 48.6410021
48.9327668 49.3754424 50.1017602 50.4546046 50.7972112
51.5864425 52.0021992 53.3745889 54.0840958 54.8889652
55.4303590 55.6753064 56.4373857 57.1259744 57.3856195
57.6037404 58.3184930 59.0564841 60.1162118 60.4577570
61.2534061
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034335 0.0034340 0.0034348 0.0034348
0.0034351 39.7199206 43.1690452 86.9924684 107.2350142
122.1507974 147.5916013 149.3616935 164.7735805 171.7523313
190.2434977 216.9213130 231.7302563 254.1293046 261.8599011
273.4350074 276.6326716 293.6842979 301.3477860 324.2100400
340.9163181 343.9306497 354.1433674 382.8696258 385.2756986
397.6387906 401.9004805 414.4898406 424.4932959 429.5240315
440.1665302 452.1657415 460.0448898 469.1433340 472.9064059
486.5495576 491.7605640 505.0270890 519.7277062 523.9773732
531.6648873 538.9996366 541.0028134 550.4807743 553.9927583
561.0465736 570.3991224 571.7389466 577.9259804 582.5212574
586.3263108 594.2513274 601.7153586 603.8867434 613.2195107
617.9376155 628.2146256 634.9845057 640.9808319 645.9990927
649.5999396 658.0994907 662.4701152 669.1125057 672.0275695
674.6051738 682.6095831 691.1276525 693.1304033 702.5480713
714.0983486 716.5226353 717.0924045 721.7841625 727.5595129
730.9757622 737.7297239 739.5069029 745.6287013 757.3498385
759.6178586 763.0461054 768.6378603 771.3396984 773.9541176
779.9433685 783.0800058 793.3458456 798.6013993 804.5217726
808.4797117 810.2640829 815.7906519 820.7522665 822.6153656
824.1772503 829.2747205 834.5052521 841.9592709 844.3476436
849.8854653
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1591
Rtb_to_modes> Number of blocs = 198
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9907E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1338
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1580
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.6418
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.9752
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.265
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.847
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.892
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.302
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.502
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.069
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.990
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.554
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.477
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.815
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.340
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.490
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.314
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.701
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.914
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.856
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.03
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.64
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.43
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 13.70
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 14.57
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 15.65
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.43
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 17.34
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.95
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.66
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 18.97
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 20.08
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 20.51
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 21.63
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 22.91
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.28
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 23.97
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 24.64
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 24.82
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 25.70
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 26.03
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 27.59
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 27.72
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 28.32
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 28.78
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 29.15
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 29.95
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.70
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 30.93
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.89
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.38
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 33.47
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 34.19
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.84
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.39
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 35.79
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.73
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 37.22
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 37.97
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 38.30
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 38.59
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 39.51
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 40.51
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 40.74
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 41.86
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 43.24
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 43.54
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 43.61
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 44.18
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 44.89
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 45.31
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 46.15
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 46.38
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 47.15
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 48.64
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 48.93
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 49.38
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 50.10
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 50.45
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 50.80
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 51.59
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 52.00
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 53.37
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 54.08
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 54.89
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 55.43
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 55.68
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 56.44
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 57.13
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 57.39
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 57.60
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 58.32
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.06
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 60.12
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 60.46
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 61.25
Rtb_to_modes> 106 vectors, with 1188 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 0.99998
0.99999 1.00001 0.99999 1.00001 1.00001
1.00002 0.99997 0.99997 1.00001 1.00001
1.00001 0.99999 1.00002 1.00004 1.00002
1.00000 1.00002 1.00000 0.99999 0.99998
0.99999 1.00001 1.00003 1.00000 0.99998
1.00000 0.99999 0.99998 0.99997 0.99998
1.00001 1.00000 0.99998 1.00000 0.99997
0.99999 0.99998 0.99996 1.00002 1.00001
0.99998 0.99997 1.00002 0.99998 0.99998
0.99999 0.99999 1.00004 1.00002 1.00002
1.00003 1.00000 1.00001 0.99999 0.99997
1.00000 0.99999 0.99995 0.99999 1.00001
0.99997 1.00001 1.00002 1.00002 0.99999
1.00000 1.00001 1.00001 0.99999 1.00000
0.99998 1.00002 1.00000 0.99999 1.00000
0.99997 1.00003 0.99997 0.99998 1.00002
1.00000 1.00002 1.00000 0.99998 1.00000
1.00000 0.99999 1.00001 1.00000 0.99998
1.00002 1.00002 1.00000 0.99997 1.00001
1.00002 0.99998 1.00000 1.00000 0.99997
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 28638 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 0.99998
0.99999 1.00001 0.99999 1.00001 1.00001
1.00002 0.99997 0.99997 1.00001 1.00001
1.00001 0.99999 1.00002 1.00004 1.00002
1.00000 1.00002 1.00000 0.99999 0.99998
0.99999 1.00001 1.00003 1.00000 0.99998
1.00000 0.99999 0.99998 0.99997 0.99998
1.00001 1.00000 0.99998 1.00000 0.99997
0.99999 0.99998 0.99996 1.00002 1.00001
0.99998 0.99997 1.00002 0.99998 0.99998
0.99999 0.99999 1.00004 1.00002 1.00002
1.00003 1.00000 1.00001 0.99999 0.99997
1.00000 0.99999 0.99995 0.99999 1.00001
0.99997 1.00001 1.00002 1.00002 0.99999
1.00000 1.00001 1.00001 0.99999 1.00000
0.99998 1.00002 1.00000 0.99999 1.00000
0.99997 1.00003 0.99997 0.99998 1.00002
1.00000 1.00002 1.00000 0.99998 1.00000
1.00000 0.99999 1.00001 1.00000 0.99998
1.00002 1.00002 1.00000 0.99997 1.00001
1.00002 0.99998 1.00000 1.00000 0.99997
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> 2403172319083633921.eigenfacs
Openam> file on opening on unit 10:
2403172319083633921.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403172319083633921.atom
Openam> file on opening on unit 11:
2403172319083633921.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 = 198
First residue number = 520
Last residue number = 717
Number of atoms found = 1591
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: 9.9907E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-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: 0.1338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9752
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 18.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 20.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 22.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 23.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 24.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 24.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 25.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 26.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 27.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 27.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 28.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 28.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 29.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 29.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 30.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 33.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 34.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 35.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 37.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 37.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 38.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 38.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 39.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 40.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 40.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 41.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 43.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 43.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 43.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 44.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 44.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 45.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 46.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 46.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 47.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 48.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 48.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 49.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 50.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 50.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 50.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 51.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 52.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 53.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 54.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 54.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 55.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 55.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 56.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 57.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 57.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 57.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 58.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 60.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 60.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 61.25
Bfactors> 106 vectors, 4773 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 : 0.133800
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= 0.393 for 203 C-alpha atoms.
Bfactors> = 0.233 +/- 0.73
Bfactors> = 49.167 +/- 20.34
Bfactors> Shiftng-fct= 48.934
Bfactors> Scaling-fct= 27.982
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403172319083633921 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=0
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=100
2403172319083633921.eigenfacs
2403172319083633921.atom
making animated gifs
11 models are in 2403172319083633921.7.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 2403172319083633921.7.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 2403172319083633921.7.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 2403172319083633921 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=0
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=100
2403172319083633921.eigenfacs
2403172319083633921.atom
making animated gifs
11 models are in 2403172319083633921.8.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 2403172319083633921.8.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 2403172319083633921.8.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 2403172319083633921 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=0
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=100
2403172319083633921.eigenfacs
2403172319083633921.atom
making animated gifs
11 models are in 2403172319083633921.9.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 2403172319083633921.9.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 2403172319083633921.9.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 2403172319083633921 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=0
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=100
2403172319083633921.eigenfacs
2403172319083633921.atom
making animated gifs
11 models are in 2403172319083633921.10.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 2403172319083633921.10.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 2403172319083633921.10.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 2403172319083633921 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=-20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=0
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=20
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=40
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=60
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=80
2403172319083633921.eigenfacs
2403172319083633921.atom
calculating perturbed structure for DQ=100
2403172319083633921.eigenfacs
2403172319083633921.atom
making animated gifs
11 models are in 2403172319083633921.11.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 2403172319083633921.11.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 2403172319083633921.11.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
2403172319083633921.10.pdb
2403172319083633921.11.pdb
2403172319083633921.7.pdb
2403172319083633921.8.pdb
2403172319083633921.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.475s
user 0m22.438s
sys 0m0.036s
../../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: 2403172319083633921.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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