*** CELL ADHESION 14-DEC-19 6TPW ***
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 = 2403161612103502452.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 2403161612103502452.atom to be opened.
Openam> File opened: 2403161612103502452.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 = 375
First residue number = 319
Last residue number = 704
Number of atoms found = 2909
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -31.303150 +/- 8.169533 From: -55.737000 To: -9.688000
= -9.776072 +/- 11.561213 From: -34.432000 To: 22.866000
= -55.269949 +/- 40.526642 From: -134.350000 To: 21.166000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.6369 % Filled.
Pdbmat> 1004259 non-zero elements.
Pdbmat> 109665 atom-atom interactions.
Pdbmat> Number per atom= 75.40 +/- 21.88
Maximum number = 130
Minimum number = 11
Pdbmat> Matrix trace = 2.193300E+06
Pdbmat> Larger element = 480.841
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
375 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403161612103502452.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403161612103502452.atom to be opened.
Openam> file on opening on unit 11:
2403161612103502452.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2909 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 375 residues.
Blocpdb> 16 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 17
Blocpdb> 16 atoms in block 3
Block first atom: 31
Blocpdb> 15 atoms in block 4
Block first atom: 47
Blocpdb> 14 atoms in block 5
Block first atom: 62
Blocpdb> 16 atoms in block 6
Block first atom: 76
Blocpdb> 12 atoms in block 7
Block first atom: 92
Blocpdb> 13 atoms in block 8
Block first atom: 104
Blocpdb> 14 atoms in block 9
Block first atom: 117
Blocpdb> 15 atoms in block 10
Block first atom: 131
Blocpdb> 14 atoms in block 11
Block first atom: 146
Blocpdb> 14 atoms in block 12
Block first atom: 160
Blocpdb> 19 atoms in block 13
Block first atom: 174
Blocpdb> 16 atoms in block 14
Block first atom: 193
Blocpdb> 17 atoms in block 15
Block first atom: 209
Blocpdb> 23 atoms in block 16
Block first atom: 226
Blocpdb> 10 atoms in block 17
Block first atom: 249
Blocpdb> 11 atoms in block 18
Block first atom: 259
Blocpdb> 13 atoms in block 19
Block first atom: 270
Blocpdb> 18 atoms in block 20
Block first atom: 283
Blocpdb> 18 atoms in block 21
Block first atom: 301
Blocpdb> 15 atoms in block 22
Block first atom: 319
Blocpdb> 11 atoms in block 23
Block first atom: 334
Blocpdb> 12 atoms in block 24
Block first atom: 345
Blocpdb> 18 atoms in block 25
Block first atom: 357
Blocpdb> 18 atoms in block 26
Block first atom: 375
Blocpdb> 12 atoms in block 27
Block first atom: 393
Blocpdb> 12 atoms in block 28
Block first atom: 405
Blocpdb> 13 atoms in block 29
Block first atom: 417
Blocpdb> 17 atoms in block 30
Block first atom: 430
Blocpdb> 21 atoms in block 31
Block first atom: 447
Blocpdb> 16 atoms in block 32
Block first atom: 468
Blocpdb> 18 atoms in block 33
Block first atom: 484
Blocpdb> 13 atoms in block 34
Block first atom: 502
Blocpdb> 15 atoms in block 35
Block first atom: 515
Blocpdb> 14 atoms in block 36
Block first atom: 530
Blocpdb> 15 atoms in block 37
Block first atom: 544
Blocpdb> 11 atoms in block 38
Block first atom: 559
Blocpdb> 13 atoms in block 39
Block first atom: 570
Blocpdb> 14 atoms in block 40
Block first atom: 583
Blocpdb> 18 atoms in block 41
Block first atom: 597
Blocpdb> 16 atoms in block 42
Block first atom: 615
Blocpdb> 11 atoms in block 43
Block first atom: 631
Blocpdb> 18 atoms in block 44
Block first atom: 642
Blocpdb> 12 atoms in block 45
Block first atom: 660
Blocpdb> 12 atoms in block 46
Block first atom: 672
Blocpdb> 14 atoms in block 47
Block first atom: 684
Blocpdb> 22 atoms in block 48
Block first atom: 698
Blocpdb> 16 atoms in block 49
Block first atom: 720
Blocpdb> 16 atoms in block 50
Block first atom: 736
Blocpdb> 16 atoms in block 51
Block first atom: 752
Blocpdb> 11 atoms in block 52
Block first atom: 768
Blocpdb> 13 atoms in block 53
Block first atom: 779
Blocpdb> 16 atoms in block 54
Block first atom: 792
Blocpdb> 16 atoms in block 55
Block first atom: 808
Blocpdb> 23 atoms in block 56
Block first atom: 824
Blocpdb> 14 atoms in block 57
Block first atom: 847
Blocpdb> 18 atoms in block 58
Block first atom: 861
Blocpdb> 15 atoms in block 59
Block first atom: 879
Blocpdb> 12 atoms in block 60
Block first atom: 894
Blocpdb> 18 atoms in block 61
Block first atom: 906
Blocpdb> 16 atoms in block 62
Block first atom: 924
Blocpdb> 18 atoms in block 63
Block first atom: 940
Blocpdb> 24 atoms in block 64
Block first atom: 958
Blocpdb> 14 atoms in block 65
Block first atom: 982
Blocpdb> 14 atoms in block 66
Block first atom: 996
Blocpdb> 22 atoms in block 67
Block first atom: 1010
Blocpdb> 14 atoms in block 68
Block first atom: 1032
Blocpdb> 13 atoms in block 69
Block first atom: 1046
Blocpdb> 24 atoms in block 70
Block first atom: 1059
Blocpdb> 19 atoms in block 71
Block first atom: 1083
Blocpdb> 15 atoms in block 72
Block first atom: 1102
Blocpdb> 13 atoms in block 73
Block first atom: 1117
Blocpdb> 12 atoms in block 74
Block first atom: 1130
Blocpdb> 15 atoms in block 75
Block first atom: 1142
Blocpdb> 14 atoms in block 76
Block first atom: 1157
Blocpdb> 10 atoms in block 77
Block first atom: 1171
Blocpdb> 16 atoms in block 78
Block first atom: 1181
Blocpdb> 11 atoms in block 79
Block first atom: 1197
Blocpdb> 15 atoms in block 80
Block first atom: 1208
Blocpdb> 18 atoms in block 81
Block first atom: 1223
Blocpdb> 19 atoms in block 82
Block first atom: 1241
Blocpdb> 15 atoms in block 83
Block first atom: 1260
Blocpdb> 16 atoms in block 84
Block first atom: 1275
Blocpdb> 12 atoms in block 85
Block first atom: 1291
Blocpdb> 11 atoms in block 86
Block first atom: 1303
Blocpdb> 12 atoms in block 87
Block first atom: 1314
Blocpdb> 14 atoms in block 88
Block first atom: 1326
Blocpdb> 13 atoms in block 89
Block first atom: 1340
Blocpdb> 15 atoms in block 90
Block first atom: 1353
Blocpdb> 16 atoms in block 91
Block first atom: 1368
Blocpdb> 16 atoms in block 92
Block first atom: 1384
Blocpdb> 18 atoms in block 93
Block first atom: 1400
Blocpdb> 11 atoms in block 94
Block first atom: 1418
Blocpdb> 12 atoms in block 95
Block first atom: 1429
Blocpdb> 16 atoms in block 96
Block first atom: 1441
Blocpdb> 13 atoms in block 97
Block first atom: 1457
Blocpdb> 20 atoms in block 98
Block first atom: 1470
Blocpdb> 14 atoms in block 99
Block first atom: 1490
Blocpdb> 16 atoms in block 100
Block first atom: 1504
Blocpdb> 14 atoms in block 101
Block first atom: 1520
Blocpdb> 18 atoms in block 102
Block first atom: 1534
Blocpdb> 17 atoms in block 103
Block first atom: 1552
Blocpdb> 14 atoms in block 104
Block first atom: 1569
Blocpdb> 22 atoms in block 105
Block first atom: 1583
Blocpdb> 15 atoms in block 106
Block first atom: 1605
Blocpdb> 16 atoms in block 107
Block first atom: 1620
Blocpdb> 20 atoms in block 108
Block first atom: 1636
Blocpdb> 16 atoms in block 109
Block first atom: 1656
Blocpdb> 20 atoms in block 110
Block first atom: 1672
Blocpdb> 17 atoms in block 111
Block first atom: 1692
Blocpdb> 19 atoms in block 112
Block first atom: 1709
Blocpdb> 19 atoms in block 113
Block first atom: 1728
Blocpdb> 14 atoms in block 114
Block first atom: 1747
Blocpdb> 17 atoms in block 115
Block first atom: 1761
Blocpdb> 17 atoms in block 116
Block first atom: 1778
Blocpdb> 19 atoms in block 117
Block first atom: 1795
Blocpdb> 16 atoms in block 118
Block first atom: 1814
Blocpdb> 18 atoms in block 119
Block first atom: 1830
Blocpdb> 15 atoms in block 120
Block first atom: 1848
Blocpdb> 13 atoms in block 121
Block first atom: 1863
Blocpdb> 18 atoms in block 122
Block first atom: 1876
Blocpdb> 15 atoms in block 123
Block first atom: 1894
Blocpdb> 17 atoms in block 124
Block first atom: 1909
Blocpdb> 17 atoms in block 125
Block first atom: 1926
Blocpdb> 15 atoms in block 126
Block first atom: 1943
Blocpdb> 15 atoms in block 127
Block first atom: 1958
Blocpdb> 23 atoms in block 128
Block first atom: 1973
Blocpdb> 20 atoms in block 129
Block first atom: 1996
Blocpdb> 13 atoms in block 130
Block first atom: 2016
Blocpdb> 16 atoms in block 131
Block first atom: 2029
Blocpdb> 14 atoms in block 132
Block first atom: 2045
Blocpdb> 12 atoms in block 133
Block first atom: 2059
Blocpdb> 11 atoms in block 134
Block first atom: 2071
Blocpdb> 18 atoms in block 135
Block first atom: 2082
Blocpdb> 14 atoms in block 136
Block first atom: 2100
Blocpdb> 15 atoms in block 137
Block first atom: 2114
Blocpdb> 14 atoms in block 138
Block first atom: 2129
Blocpdb> 18 atoms in block 139
Block first atom: 2143
Blocpdb> 14 atoms in block 140
Block first atom: 2161
Blocpdb> 13 atoms in block 141
Block first atom: 2175
Blocpdb> 13 atoms in block 142
Block first atom: 2188
Blocpdb> 12 atoms in block 143
Block first atom: 2201
Blocpdb> 16 atoms in block 144
Block first atom: 2213
Blocpdb> 16 atoms in block 145
Block first atom: 2229
Blocpdb> 14 atoms in block 146
Block first atom: 2245
Blocpdb> 13 atoms in block 147
Block first atom: 2259
Blocpdb> 12 atoms in block 148
Block first atom: 2272
Blocpdb> 13 atoms in block 149
Block first atom: 2284
Blocpdb> 14 atoms in block 150
Block first atom: 2297
Blocpdb> 18 atoms in block 151
Block first atom: 2311
Blocpdb> 20 atoms in block 152
Block first atom: 2329
Blocpdb> 14 atoms in block 153
Block first atom: 2349
Blocpdb> 14 atoms in block 154
Block first atom: 2363
Blocpdb> 13 atoms in block 155
Block first atom: 2377
Blocpdb> 17 atoms in block 156
Block first atom: 2390
Blocpdb> 12 atoms in block 157
Block first atom: 2407
Blocpdb> 15 atoms in block 158
Block first atom: 2419
Blocpdb> 16 atoms in block 159
Block first atom: 2434
Blocpdb> 18 atoms in block 160
Block first atom: 2450
Blocpdb> 12 atoms in block 161
Block first atom: 2468
Blocpdb> 21 atoms in block 162
Block first atom: 2480
Blocpdb> 12 atoms in block 163
Block first atom: 2501
Blocpdb> 12 atoms in block 164
Block first atom: 2513
Blocpdb> 9 atoms in block 165
Block first atom: 2525
Blocpdb> 14 atoms in block 166
Block first atom: 2534
Blocpdb> 12 atoms in block 167
Block first atom: 2548
Blocpdb> 14 atoms in block 168
Block first atom: 2560
Blocpdb> 20 atoms in block 169
Block first atom: 2574
Blocpdb> 16 atoms in block 170
Block first atom: 2594
Blocpdb> 20 atoms in block 171
Block first atom: 2610
Blocpdb> 16 atoms in block 172
Block first atom: 2630
Blocpdb> 11 atoms in block 173
Block first atom: 2646
Blocpdb> 17 atoms in block 174
Block first atom: 2657
Blocpdb> 23 atoms in block 175
Block first atom: 2674
Blocpdb> 16 atoms in block 176
Block first atom: 2697
Blocpdb> 23 atoms in block 177
Block first atom: 2713
Blocpdb> 21 atoms in block 178
Block first atom: 2736
Blocpdb> 18 atoms in block 179
Block first atom: 2757
Blocpdb> 15 atoms in block 180
Block first atom: 2775
Blocpdb> 15 atoms in block 181
Block first atom: 2790
Blocpdb> 11 atoms in block 182
Block first atom: 2805
Blocpdb> 11 atoms in block 183
Block first atom: 2816
Blocpdb> 16 atoms in block 184
Block first atom: 2827
Blocpdb> 12 atoms in block 185
Block first atom: 2843
Blocpdb> 14 atoms in block 186
Block first atom: 2855
Blocpdb> 15 atoms in block 187
Block first atom: 2869
Blocpdb> 18 atoms in block 188
Block first atom: 2884
Blocpdb> 8 atoms in block 189
Block first atom: 2901
Blocpdb> 189 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 8 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> 1004448 matrix lines read.
Prepmat> Matrix order = 8727
Prepmat> Matrix trace = 2193300.0000
Prepmat> Last element read: 8727 8727 132.2544
Prepmat> 17956 lines saved.
Prepmat> 16247 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: 2909
RTB> Total mass = 2909.0000
RTB> Number of atoms found in matrix: 2909
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 234959.7018
RTB> 58653 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 = 1134
Diagstd> Nb of non-zero elements: 58653
Diagstd> Projected matrix trace = 234959.7018
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1134 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 234959.7018
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 0.0175128 0.0524175 0.1027791 0.1507670
0.1793358 0.3260835 0.4157267 0.5720891 0.7627861
1.5272461 1.8347328 2.1473149 2.7293536 3.1952637
3.4891211 4.2971624 4.4655101 5.3035237 5.3429817
7.0896265 7.2426459 7.7365444 8.6250770 8.6632830
9.6043676 10.1985349 10.3259782 10.8239451 11.9059623
12.4999893 13.0841292 13.8026630 14.5144897 15.1206526
15.9619147 16.3825633 16.7576843 17.9812077 18.8658823
19.1173051 20.0380476 20.3473711 21.0855249 21.7191620
22.3972150 23.2312025 23.4385643 23.7845640 24.3297442
25.1413636 25.7578894 27.1514704 28.3484020 28.6746347
29.4623375 30.2932649 30.9521448 31.8563397 32.0110713
32.5412015 32.9303208 33.0775456 34.2377220 34.6463222
34.8865346 34.9844302 35.9518803 36.5612992 37.3963495
37.5631346 39.0886846 39.2808159 39.5172226 40.3393787
41.0133469 41.4406439 42.0355921 42.3189685 42.8058012
43.8935771 44.0179296 44.3148307 45.5177432 45.8071966
45.8688878 46.6677298 46.9919249 47.4000109 47.6854496
48.9334069 49.6679511 49.8830014 50.0689549 50.6182771
51.1970958 51.5500276 52.2892083 52.4174173 52.9319388
53.1649120
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034327 0.0034328 0.0034329 0.0034331
0.0034340 14.3705531 24.8618512 34.8135075 42.1646377
45.9863338 62.0097101 70.0163143 82.1347869 94.8411209
134.1991577 147.0895069 159.1267330 179.4011323 194.1103249
202.8398604 225.1055286 229.4725898 250.0791806 251.0077451
289.1391887 292.2428584 302.0430121 318.9163404 319.6219021
336.5345570 346.7880900 348.9481357 357.2630243 374.6946835
383.9282774 392.7965751 403.4379256 413.7101399 422.2605883
433.8481728 439.5276570 444.5312350 460.4735714 471.6652069
474.7977109 486.0970467 489.8345708 498.6404297 506.0772472
513.9161790 523.3968747 525.7276071 529.5937823 535.6289621
544.4897329 551.1253879 565.8378013 578.1753491 581.4926463
589.4254453 597.6794472 604.1442609 612.9050750 614.3917627
619.4582944 623.1509495 624.5423864 635.4007321 639.1809905
641.3929709 642.2922515 651.1125775 656.6078795 664.0639207
665.5431129 678.9234482 680.5899480 682.6348984 689.6994546
695.4371490 699.0504626 704.0505868 706.4197243 710.4713921
719.4419671 720.4603522 722.8860225 732.6315902 734.9573495
735.4520876 741.8286766 744.4009146 747.6261799 749.8738708
759.6228273 765.3029772 766.9579763 768.3861769 772.5897815
776.9944973 779.6680385 785.2380091 786.2000904 790.0492791
791.7860210
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2909
Rtb_to_modes> Number of blocs = 189
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: 9.9897E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9926E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.7513E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.2418E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1028
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1508
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1793
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.3261
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.4157
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.5721
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.7628
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.527
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.835
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.147
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.729
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.195
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.489
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.297
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.466
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.304
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 5.343
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 7.090
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.243
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.737
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.625
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.663
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.604
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 10.20
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 10.33
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.82
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 11.91
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 12.50
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 13.08
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 13.80
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 15.12
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 15.96
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 16.38
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 17.98
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 18.87
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.12
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 20.04
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 20.35
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 21.09
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 21.72
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 22.40
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 23.23
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 23.44
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 23.78
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 24.33
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 25.14
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 25.76
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 27.15
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 28.35
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 28.67
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 29.46
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 30.29
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 30.95
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 31.86
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 32.01
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 32.54
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.93
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 33.08
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 34.24
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 34.65
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.89
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 34.98
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 35.95
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 36.56
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.56
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 39.09
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 39.28
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 39.52
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 40.34
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 41.01
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 41.44
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 42.04
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 42.32
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 42.81
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 43.89
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 44.02
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 44.31
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 45.52
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 45.81
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 45.87
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 46.99
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 47.40
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 47.69
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 48.93
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 49.67
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 49.88
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 50.62
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 51.20
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 51.55
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 52.29
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 52.42
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 52.93
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 53.16
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00003 1.00001 0.99999
0.99997 0.99999 1.00000 1.00001 0.99999
1.00000 0.99998 1.00000 1.00001 1.00002
0.99998 0.99999 1.00000 0.99999 1.00000
0.99999 1.00000 1.00001 1.00000 1.00002
0.99998 0.99996 1.00001 1.00001 0.99999
0.99999 1.00003 0.99998 0.99998 0.99994
0.99999 1.00001 1.00001 0.99998 0.99997
1.00003 0.99999 1.00002 0.99999 1.00002
0.99995 1.00002 1.00000 1.00001 0.99997
1.00001 1.00002 1.00000 1.00001 1.00000
0.99998 1.00002 1.00000 1.00002 0.99996
0.99998 1.00002 0.99999 1.00000 1.00001
1.00003 1.00003 0.99998 0.99996 1.00001
1.00001 0.99998 0.99999 1.00000 0.99998
1.00002 1.00003 1.00001 0.99999 0.99997
1.00002 0.99997 0.99998 1.00002 0.99999
1.00003 0.99999 1.00002 0.99999 1.00001
1.00004 1.00001 0.99999 0.99998 1.00000
1.00002 0.99999 0.99999 1.00000 0.99998
0.99999 1.00001 1.00002 1.00000 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 52362 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00003 1.00001 0.99999
0.99997 0.99999 1.00000 1.00001 0.99999
1.00000 0.99998 1.00000 1.00001 1.00002
0.99998 0.99999 1.00000 0.99999 1.00000
0.99999 1.00000 1.00001 1.00000 1.00002
0.99998 0.99996 1.00001 1.00001 0.99999
0.99999 1.00003 0.99998 0.99998 0.99994
0.99999 1.00001 1.00001 0.99998 0.99997
1.00003 0.99999 1.00002 0.99999 1.00002
0.99995 1.00002 1.00000 1.00001 0.99997
1.00001 1.00002 1.00000 1.00001 1.00000
0.99998 1.00002 1.00000 1.00002 0.99996
0.99998 1.00002 0.99999 1.00000 1.00001
1.00003 1.00003 0.99998 0.99996 1.00001
1.00001 0.99998 0.99999 1.00000 0.99998
1.00002 1.00003 1.00001 0.99999 0.99997
1.00002 0.99997 0.99998 1.00002 0.99999
1.00003 0.99999 1.00002 0.99999 1.00001
1.00004 1.00001 0.99999 0.99998 1.00000
1.00002 0.99999 0.99999 1.00000 0.99998
0.99999 1.00001 1.00002 1.00000 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000-0.000 0.000
Vector 6:-0.000 0.000 0.000 0.000 0.000
Vector 7:-0.000-0.000-0.000-0.000-0.000-0.000
Vector 8: 0.000 0.000 0.000-0.000 0.000-0.000 0.000
Vector 9: 0.000-0.000-0.000-0.000-0.000 0.000 0.000-0.000
Vector 10:-0.000-0.000 0.000-0.000 0.000 0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403161612103502452.eigenfacs
Openam> file on opening on unit 10:
2403161612103502452.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403161612103502452.atom
Openam> file on opening on unit 11:
2403161612103502452.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 = 375
First residue number = 319
Last residue number = 704
Number of atoms found = 2909
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7513E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.2418E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 5.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 7.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 10.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 11.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 12.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 13.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 15.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 17.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 18.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 20.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 20.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 21.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 22.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 23.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 23.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 23.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 24.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 25.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 25.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 27.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 28.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 28.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 29.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 30.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 30.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 31.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 32.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 32.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 33.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 34.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 34.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 34.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 35.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 36.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 39.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 39.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 39.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 40.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 41.01
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: 42.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 42.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 42.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 43.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 44.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 44.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 45.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 45.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 45.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 46.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 47.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 47.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 48.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 49.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 49.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 50.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 51.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 51.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 52.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 52.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 52.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 53.16
Bfactors> 106 vectors, 8727 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 : 0.017513
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= 0.628 for 375 C-alpha atoms.
Bfactors> = 0.586 +/- 0.42
Bfactors> = 159.866 +/- 31.57
Bfactors> Shiftng-fct= 159.280
Bfactors> Scaling-fct= 75.924
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403161612103502452 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=0
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=100
2403161612103502452.eigenfacs
2403161612103502452.atom
making animated gifs
11 models are in 2403161612103502452.7.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 2403161612103502452.7.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 2403161612103502452.7.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 2403161612103502452 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=0
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=100
2403161612103502452.eigenfacs
2403161612103502452.atom
making animated gifs
11 models are in 2403161612103502452.8.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 2403161612103502452.8.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 2403161612103502452.8.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 2403161612103502452 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=0
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=100
2403161612103502452.eigenfacs
2403161612103502452.atom
making animated gifs
11 models are in 2403161612103502452.9.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 2403161612103502452.9.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 2403161612103502452.9.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 2403161612103502452 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=0
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=100
2403161612103502452.eigenfacs
2403161612103502452.atom
making animated gifs
11 models are in 2403161612103502452.10.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 2403161612103502452.10.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 2403161612103502452.10.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 2403161612103502452 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=-20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=0
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=20
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=40
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=60
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=80
2403161612103502452.eigenfacs
2403161612103502452.atom
calculating perturbed structure for DQ=100
2403161612103502452.eigenfacs
2403161612103502452.atom
making animated gifs
11 models are in 2403161612103502452.11.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 2403161612103502452.11.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 2403161612103502452.11.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
2403161612103502452.10.pdb
2403161612103502452.11.pdb
2403161612103502452.7.pdb
2403161612103502452.8.pdb
2403161612103502452.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.164s
user 0m22.108s
sys 0m0.056s
../../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: 2403161612103502452.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.
|
