*** 1exr ***
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 = 240124131923244126.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 240124131923244126.atom to be opened.
Openam> File opened: 240124131923244126.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 = 146
First residue number = 2
Last residue number = 147
Number of atoms found = 1467
Mean number per residue = 10.0
Pdbmat> Coordinate statistics:
= 34.820301 +/- 9.622681 From: 12.387000 To: 56.482000
= -2.706429 +/- 10.434569 From: -22.760000 To: 22.193000
= 14.470390 +/- 15.626411 From: -13.168000 To: 49.093000
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 6.5674 % Filled.
Pdbmat> 636155 non-zero elements.
Pdbmat> 69717 atom-atom interactions.
Pdbmat> Number per atom= 95.05 +/- 31.05
Maximum number = 182
Minimum number = 19
Pdbmat> Matrix trace = 1.394340E+06
Pdbmat> Larger element = 716.565
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
146 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 = 240124131923244126.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 240124131923244126.atom to be opened.
Openam> file on opening on unit 11:
240124131923244126.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1467 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> 146 residues.
Blocpdb> 9 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 10
Blocpdb> 8 atoms in block 3
Block first atom: 19
Blocpdb> 7 atoms in block 4
Block first atom: 27
Blocpdb> 9 atoms in block 5
Block first atom: 34
Blocpdb> 9 atoms in block 6
Block first atom: 43
Blocpdb> 9 atoms in block 7
Block first atom: 52
Blocpdb> 16 atoms in block 8
Block first atom: 61
Blocpdb> 5 atoms in block 9
Block first atom: 77
Blocpdb> 18 atoms in block 10
Block first atom: 82
Blocpdb> 22 atoms in block 11
Block first atom: 100
Blocpdb> 18 atoms in block 12
Block first atom: 122
Blocpdb> 9 atoms in block 13
Block first atom: 140
Blocpdb> 5 atoms in block 14
Block first atom: 149
Blocpdb> 11 atoms in block 15
Block first atom: 154
Blocpdb> 5 atoms in block 16
Block first atom: 165
Blocpdb> 8 atoms in block 17
Block first atom: 170
Blocpdb> 11 atoms in block 18
Block first atom: 178
Blocpdb> 8 atoms in block 19
Block first atom: 189
Blocpdb> 9 atoms in block 20
Block first atom: 197
Blocpdb> 8 atoms in block 21
Block first atom: 206
Blocpdb> 4 atoms in block 22
Block first atom: 214
Blocpdb> 8 atoms in block 23
Block first atom: 218
Blocpdb> 4 atoms in block 24
Block first atom: 226
Blocpdb> 7 atoms in block 25
Block first atom: 230
Blocpdb> 8 atoms in block 26
Block first atom: 237
Blocpdb> 7 atoms in block 27
Block first atom: 245
Blocpdb> 7 atoms in block 28
Block first atom: 252
Blocpdb> 9 atoms in block 29
Block first atom: 259
Blocpdb> 9 atoms in block 30
Block first atom: 268
Blocpdb> 8 atoms in block 31
Block first atom: 277
Blocpdb> 4 atoms in block 32
Block first atom: 285
Blocpdb> 7 atoms in block 33
Block first atom: 289
Blocpdb> 7 atoms in block 34
Block first atom: 296
Blocpdb> 16 atoms in block 35
Block first atom: 303
Blocpdb> 11 atoms in block 36
Block first atom: 319
Blocpdb> 6 atoms in block 37
Block first atom: 330
Blocpdb> 16 atoms in block 38
Block first atom: 336
Blocpdb> 4 atoms in block 39
Block first atom: 352
Blocpdb> 9 atoms in block 40
Block first atom: 356
Blocpdb> 8 atoms in block 41
Block first atom: 365
Blocpdb> 14 atoms in block 42
Block first atom: 373
Blocpdb> 7 atoms in block 43
Block first atom: 387
Blocpdb> 9 atoms in block 44
Block first atom: 394
Blocpdb> 5 atoms in block 45
Block first atom: 403
Blocpdb> 9 atoms in block 46
Block first atom: 408
Blocpdb> 8 atoms in block 47
Block first atom: 417
Blocpdb> 9 atoms in block 48
Block first atom: 425
Blocpdb> 8 atoms in block 49
Block first atom: 434
Blocpdb> 8 atoms in block 50
Block first atom: 442
Blocpdb> 16 atoms in block 51
Block first atom: 450
Blocpdb> 8 atoms in block 52
Block first atom: 466
Blocpdb> 9 atoms in block 53
Block first atom: 474
Blocpdb> 14 atoms in block 54
Block first atom: 483
Blocpdb> 8 atoms in block 55
Block first atom: 497
Blocpdb> 5 atoms in block 56
Block first atom: 505
Blocpdb> 8 atoms in block 57
Block first atom: 510
Blocpdb> 4 atoms in block 58
Block first atom: 518
Blocpdb> 8 atoms in block 59
Block first atom: 522
Blocpdb> 4 atoms in block 60
Block first atom: 530
Blocpdb> 7 atoms in block 61
Block first atom: 534
Blocpdb> 8 atoms in block 62
Block first atom: 541
Blocpdb> 8 atoms in block 63
Block first atom: 549
Blocpdb> 11 atoms in block 64
Block first atom: 557
Blocpdb> 7 atoms in block 65
Block first atom: 568
Blocpdb> 9 atoms in block 66
Block first atom: 575
Blocpdb> 22 atoms in block 67
Block first atom: 584
Blocpdb> 8 atoms in block 68
Block first atom: 606
Blocpdb> 12 atoms in block 69
Block first atom: 614
Blocpdb> 16 atoms in block 70
Block first atom: 626
Blocpdb> 16 atoms in block 71
Block first atom: 642
Blocpdb> 10 atoms in block 72
Block first atom: 658
Blocpdb> 22 atoms in block 73
Block first atom: 668
Blocpdb> 9 atoms in block 74
Block first atom: 690
Blocpdb> 16 atoms in block 75
Block first atom: 699
Blocpdb> 9 atoms in block 76
Block first atom: 715
Blocpdb> 18 atoms in block 77
Block first atom: 724
Blocpdb> 9 atoms in block 78
Block first atom: 742
Blocpdb> 16 atoms in block 79
Block first atom: 751
Blocpdb> 12 atoms in block 80
Block first atom: 767
Blocpdb> 18 atoms in block 81
Block first atom: 779
Blocpdb> 9 atoms in block 82
Block first atom: 797
Blocpdb> 9 atoms in block 83
Block first atom: 806
Blocpdb> 16 atoms in block 84
Block first atom: 815
Blocpdb> 8 atoms in block 85
Block first atom: 831
Blocpdb> 18 atoms in block 86
Block first atom: 839
Blocpdb> 5 atoms in block 87
Block first atom: 857
Blocpdb> 11 atoms in block 88
Block first atom: 862
Blocpdb> 18 atoms in block 89
Block first atom: 873
Blocpdb> 14 atoms in block 90
Block first atom: 891
Blocpdb> 22 atoms in block 91
Block first atom: 905
Blocpdb> 8 atoms in block 92
Block first atom: 927
Blocpdb> 11 atoms in block 93
Block first atom: 935
Blocpdb> 8 atoms in block 94
Block first atom: 946
Blocpdb> 4 atoms in block 95
Block first atom: 954
Blocpdb> 8 atoms in block 96
Block first atom: 958
Blocpdb> 4 atoms in block 97
Block first atom: 966
Blocpdb> 8 atoms in block 98
Block first atom: 970
Blocpdb> 16 atoms in block 99
Block first atom: 978
Blocpdb> 6 atoms in block 100
Block first atom: 994
Blocpdb> 5 atoms in block 101
Block first atom: 1000
Blocpdb> 5 atoms in block 102
Block first atom: 1005
Blocpdb> 9 atoms in block 103
Block first atom: 1010
Blocpdb> 8 atoms in block 104
Block first atom: 1019
Blocpdb> 11 atoms in block 105
Block first atom: 1027
Blocpdb> 20 atoms in block 106
Block first atom: 1038
Blocpdb> 7 atoms in block 107
Block first atom: 1058
Blocpdb> 8 atoms in block 108
Block first atom: 1065
Blocpdb> 7 atoms in block 109
Block first atom: 1073
Blocpdb> 16 atoms in block 110
Block first atom: 1080
Blocpdb> 8 atoms in block 111
Block first atom: 1096
Blocpdb> 4 atoms in block 112
Block first atom: 1104
Blocpdb> 9 atoms in block 113
Block first atom: 1108
Blocpdb> 18 atoms in block 114
Block first atom: 1117
Blocpdb> 16 atoms in block 115
Block first atom: 1135
Blocpdb> 7 atoms in block 116
Block first atom: 1151
Blocpdb> 8 atoms in block 117
Block first atom: 1158
Blocpdb> 16 atoms in block 118
Block first atom: 1166
Blocpdb> 9 atoms in block 119
Block first atom: 1182
Blocpdb> 7 atoms in block 120
Block first atom: 1191
Blocpdb> 8 atoms in block 121
Block first atom: 1198
Blocpdb> 9 atoms in block 122
Block first atom: 1206
Blocpdb> 8 atoms in block 123
Block first atom: 1215
Blocpdb> 16 atoms in block 124
Block first atom: 1223
Blocpdb> 11 atoms in block 125
Block first atom: 1239
Blocpdb> 9 atoms in block 126
Block first atom: 1250
Blocpdb> 5 atoms in block 127
Block first atom: 1259
Blocpdb> 8 atoms in block 128
Block first atom: 1264
Blocpdb> 8 atoms in block 129
Block first atom: 1272
Blocpdb> 8 atoms in block 130
Block first atom: 1280
Blocpdb> 4 atoms in block 131
Block first atom: 1288
Blocpdb> 8 atoms in block 132
Block first atom: 1292
Blocpdb> 4 atoms in block 133
Block first atom: 1300
Blocpdb> 10 atoms in block 134
Block first atom: 1304
Blocpdb> 16 atoms in block 135
Block first atom: 1314
Blocpdb> 8 atoms in block 136
Block first atom: 1330
Blocpdb> 24 atoms in block 137
Block first atom: 1338
Blocpdb> 9 atoms in block 138
Block first atom: 1362
Blocpdb> 9 atoms in block 139
Block first atom: 1371
Blocpdb> 22 atoms in block 140
Block first atom: 1380
Blocpdb> 7 atoms in block 141
Block first atom: 1402
Blocpdb> 22 atoms in block 142
Block first atom: 1409
Blocpdb> 16 atoms in block 143
Block first atom: 1431
Blocpdb> 8 atoms in block 144
Block first atom: 1447
Blocpdb> 7 atoms in block 145
Block first atom: 1455
Blocpdb> 6 atoms in block 146
Block first atom: 1461
Blocpdb> 146 blocks.
Blocpdb> At most, 24 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> 636301 matrix lines read.
Prepmat> Matrix order = 4401
Prepmat> Matrix trace = 1394340.0000
Prepmat> Last element read: 4401 4401 204.4388
Prepmat> 10732 lines saved.
Prepmat> 9196 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: 1467
RTB> Total mass = 1467.0000
RTB> Number of atoms found in matrix: 1467
RTB> Number of blocks = 146
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 235479.8407
RTB> 53070 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 = 876
Diagstd> Nb of non-zero elements: 53070
Diagstd> Projected matrix trace = 235479.8407
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 876 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 235479.8407
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 0.1157012 0.1331020 0.2416016 0.9348526
1.7941347 2.1183004 2.8906693 4.5479145 5.1926143
6.5026958 7.9125948 8.2379014 9.3425068 13.2935719
13.7873207 15.3114170 16.1368343 17.6785913 18.6066616
19.7916730 21.3418132 23.0980704 23.2368706 24.8528223
26.9778172 27.6088781 27.8601275 29.7220520 30.4892410
30.7939329 32.0061146 32.6939694 33.2984829 35.2227515
37.0938238 38.6483563 39.0567165 40.1447651 40.6502619
41.3342885 43.2198627 43.5071510 44.0620778 45.2094416
46.4137209 46.6059648 47.2500348 47.4397637 47.7768009
49.5628323 50.2138024 51.2760829 54.1239213 55.0115448
56.1609481 57.0167734 57.9849731 59.7747889 60.9464544
61.8261465 62.1357347 63.1316122 65.9298164 66.9738471
68.4983839 68.6678963 69.9576005 70.8975364 73.2732117
73.5255506 74.0523163 75.4821210 75.7110849 76.4810550
76.5766339 77.2364874 78.4096791 79.6822587 81.1350404
81.4051852 81.9493803 82.4186513 84.4263907 84.9539595
86.4089031 86.9338166 87.5136638 88.1063449 88.8242235
89.4696724 90.0490395 91.3147533 91.9999421 92.4864670
93.6752165 94.2084655 94.7138675 95.9112870 97.1086694
97.3829974
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034328 0.0034339 0.0034340 0.0034344
0.0034347 36.9372139 39.6175490 53.3758914 104.9945751
145.4530410 158.0480186 184.6266918 231.5802000 247.4504875
276.9121425 305.4602793 311.6761540 331.9150852 395.9279174
403.2136438 424.9158903 436.2188711 456.5823392 468.4136154
483.0994393 501.6616901 521.8949933 523.4607220 541.3562276
564.0254282 570.5840927 573.1744597 592.0176783 599.6096128
602.5982410 614.3441944 620.9106463 626.6246914 644.4762535
661.3724231 675.0886316 678.6457675 688.0337479 692.3520049
698.1528469 713.8993257 716.2680891 720.8215582 730.1462377
739.8070633 741.3376068 746.4424791 747.9396189 750.5917963
764.4926926 769.4968300 777.5936420 798.8953754 805.4196120
813.7902755 819.9674235 826.9000351 839.5649620 847.7533269
853.8495809 855.9846944 862.8170536 881.7312100 888.6851097
898.7428386 899.8542070 908.2653215 914.3465959 929.5395959
931.1387983 934.4683658 943.4466092 944.8764286 949.6688985
950.2621172 954.3474944 961.5682577 969.3399197 978.1365979
979.7636315 983.0330453 985.8436243 997.7790753 1000.8917118
1009.4260920 1012.4874611 1015.8584874 1019.2926035 1023.4367082
1027.1484232 1030.4687424 1037.6855169 1041.5714261 1044.3218752
1051.0118991 1053.9991127 1056.8225356 1063.4819900 1070.0997976
1071.6102255
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1467
Rtb_to_modes> Number of blocs = 146
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: 9.9932E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1157
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1331
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2416
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.9349
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.794
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.118
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.891
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.548
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.193
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.503
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.913
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.238
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.343
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.29
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.31
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.14
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.68
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.61
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 19.79
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.34
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.10
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.24
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.85
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 26.98
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 27.61
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 29.72
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 30.49
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.79
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 32.01
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 32.69
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 33.30
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 35.22
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 37.09
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 38.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 39.06
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 40.14
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 40.65
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 41.33
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 43.22
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 43.51
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 44.06
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 45.21
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 46.41
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 46.61
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 47.25
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 47.44
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.78
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 49.56
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 50.21
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 51.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 54.12
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 55.01
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 56.16
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 57.02
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 57.98
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 59.77
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 60.95
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 61.83
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 62.14
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 63.13
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 65.93
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.97
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 68.50
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 68.67
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 69.96
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 70.90
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 73.27
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 73.53
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 74.05
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 75.48
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 75.71
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 76.48
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 76.58
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 77.24
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 78.41
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 79.68
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 81.14
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 81.41
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 81.95
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 82.42
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 84.43
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 84.95
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 86.41
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 86.93
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 87.51
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 88.11
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 88.82
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 89.47
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 90.05
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 91.31
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 92.00
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 92.49
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 93.68
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 94.21
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 94.71
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 95.91
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 97.11
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 97.38
Rtb_to_modes> 106 vectors, with 876 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00001 1.00000 1.00002 0.99999
1.00000 1.00000 1.00001 0.99997 1.00000
1.00000 0.99998 0.99999 1.00001 1.00001
0.99996 0.99999 1.00000 0.99998 1.00001
1.00001 0.99998 1.00003 1.00000 1.00002
0.99999 1.00000 0.99998 1.00001 0.99997
1.00000 0.99999 0.99999 0.99999 1.00001
0.99999 0.99999 0.99999 0.99999 0.99997
1.00001 0.99999 1.00002 0.99999 1.00000
0.99999 1.00000 1.00000 0.99999 1.00002
1.00002 1.00001 1.00002 0.99998 0.99999
1.00002 0.99999 0.99998 0.99999 1.00001
0.99999 1.00001 0.99999 1.00002 0.99998
1.00002 0.99998 0.99999 1.00001 1.00003
1.00000 0.99999 0.99997 0.99996 1.00001
0.99998 0.99996 1.00001 0.99998 1.00000
1.00001 1.00000 0.99998 0.99996 0.99999
1.00001 0.99998 0.99998 0.99999 0.99999
1.00001 1.00000 0.99999 1.00001 1.00003
0.99998 1.00002 0.99998 0.99999 1.00000
0.99997 1.00000 1.00003 0.99998 1.00000
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 26406 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00001 1.00000 1.00002 0.99999
1.00000 1.00000 1.00001 0.99997 1.00000
1.00000 0.99998 0.99999 1.00001 1.00001
0.99996 0.99999 1.00000 0.99998 1.00001
1.00001 0.99998 1.00003 1.00000 1.00002
0.99999 1.00000 0.99998 1.00001 0.99997
1.00000 0.99999 0.99999 0.99999 1.00001
0.99999 0.99999 0.99999 0.99999 0.99997
1.00001 0.99999 1.00002 0.99999 1.00000
0.99999 1.00000 1.00000 0.99999 1.00002
1.00002 1.00001 1.00002 0.99998 0.99999
1.00002 0.99999 0.99998 0.99999 1.00001
0.99999 1.00001 0.99999 1.00002 0.99998
1.00002 0.99998 0.99999 1.00001 1.00003
1.00000 0.99999 0.99997 0.99996 1.00001
0.99998 0.99996 1.00001 0.99998 1.00000
1.00001 1.00000 0.99998 0.99996 0.99999
1.00001 0.99998 0.99998 0.99999 0.99999
1.00001 1.00000 0.99999 1.00001 1.00003
0.99998 1.00002 0.99998 0.99999 1.00000
0.99997 1.00000 1.00003 0.99998 1.00000
1.00004
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> 240124131923244126.eigenfacs
Openam> file on opening on unit 10:
240124131923244126.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240124131923244126.atom
Openam> file on opening on unit 11:
240124131923244126.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 = 146
First residue number = 2
Last residue number = 147
Number of atoms found = 1467
Mean number per residue = 10.0
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: 9.9932E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 26.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 27.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 29.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 30.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 32.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 32.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 33.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 35.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 37.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 38.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 39.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 40.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 40.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 41.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 43.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 43.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 44.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 45.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 46.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 46.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 47.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 47.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 49.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 50.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 51.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 54.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 55.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 56.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 57.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 57.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 59.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 60.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 61.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 62.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 63.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 65.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 68.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 68.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 69.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 70.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 73.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 73.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 74.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 75.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 75.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 76.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 76.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 77.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 78.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 79.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 81.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 81.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 81.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 82.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 84.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 84.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 86.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 86.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 87.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 88.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 88.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 89.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 90.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 91.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 92.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 92.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 93.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 94.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 94.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 95.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 97.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 97.38
Bfactors> 106 vectors, 4401 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 : 0.115700
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= 0.284 for 183 C-alpha atoms.
Bfactors> = 0.258 +/- 0.18
Bfactors> = 13.672 +/- 6.34
Bfactors> Shiftng-fct= 13.414
Bfactors> Scaling-fct= 34.545
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240124131923244126 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=0
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=100
240124131923244126.eigenfacs
240124131923244126.atom
making animated gifs
11 models are in 240124131923244126.7.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 240124131923244126.7.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 240124131923244126.7.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 240124131923244126 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=0
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=100
240124131923244126.eigenfacs
240124131923244126.atom
making animated gifs
11 models are in 240124131923244126.8.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 240124131923244126.8.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 240124131923244126.8.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 240124131923244126 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=0
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=100
240124131923244126.eigenfacs
240124131923244126.atom
making animated gifs
11 models are in 240124131923244126.9.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 240124131923244126.9.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 240124131923244126.9.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 240124131923244126 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=0
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=100
240124131923244126.eigenfacs
240124131923244126.atom
making animated gifs
11 models are in 240124131923244126.10.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 240124131923244126.10.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 240124131923244126.10.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 240124131923244126 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=-20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=0
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=20
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=40
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=60
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=80
240124131923244126.eigenfacs
240124131923244126.atom
calculating perturbed structure for DQ=100
240124131923244126.eigenfacs
240124131923244126.atom
making animated gifs
11 models are in 240124131923244126.11.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 240124131923244126.11.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 240124131923244126.11.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
240124131923244126.10.pdb
240124131923244126.11.pdb
240124131923244126.7.pdb
240124131923244126.8.pdb
240124131923244126.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.959s
user 0m9.917s
sys 0m0.020s
../../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: 240124131923244126.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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