*** TRANSPORT PROTEIN 21-OCT-10 3APX ***
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 = 240110225123556539.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 240110225123556539.atom to be opened.
Openam> File opened: 240110225123556539.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 = 179
First residue number = 0
Last residue number = 178
Number of atoms found = 1502
Mean number per residue = 8.4
Pdbmat> Coordinate statistics:
= -7.019895 +/- 9.007214 From: -26.626000 To: 14.988000
= -13.509658 +/- 8.103162 From: -32.221000 To: 8.222000
= 17.608147 +/- 10.819954 From: -11.962000 To: 42.824000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.3240 % Filled.
Pdbmat> 540616 non-zero elements.
Pdbmat> 59076 atom-atom interactions.
Pdbmat> Number per atom= 78.66 +/- 22.87
Maximum number = 124
Minimum number = 16
Pdbmat> Matrix trace = 1.181520E+06
Pdbmat> Larger element = 474.724
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
179 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 = 240110225123556539.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 240110225123556539.atom to be opened.
Openam> file on opening on unit 11:
240110225123556539.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1502 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> 179 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 9
Blocpdb> 8 atoms in block 3
Block first atom: 18
Blocpdb> 7 atoms in block 4
Block first atom: 26
Blocpdb> 8 atoms in block 5
Block first atom: 33
Blocpdb> 6 atoms in block 6
Block first atom: 41
Blocpdb> 5 atoms in block 7
Block first atom: 47
Blocpdb> 8 atoms in block 8
Block first atom: 52
Blocpdb> 8 atoms in block 9
Block first atom: 60
Blocpdb> 7 atoms in block 10
Block first atom: 68
Blocpdb> 7 atoms in block 11
Block first atom: 75
Blocpdb> 7 atoms in block 12
Block first atom: 82
Blocpdb> 7 atoms in block 13
Block first atom: 89
Blocpdb> 8 atoms in block 14
Block first atom: 96
Blocpdb> 7 atoms in block 15
Block first atom: 104
Blocpdb> 8 atoms in block 16
Block first atom: 111
Blocpdb> 5 atoms in block 17
Block first atom: 119
Blocpdb> 7 atoms in block 18
Block first atom: 124
Blocpdb> 8 atoms in block 19
Block first atom: 131
Blocpdb> 8 atoms in block 20
Block first atom: 139
Blocpdb> 11 atoms in block 21
Block first atom: 147
Blocpdb> 8 atoms in block 22
Block first atom: 158
Blocpdb> 7 atoms in block 23
Block first atom: 166
Blocpdb> 4 atoms in block 24
Block first atom: 173
Blocpdb> 9 atoms in block 25
Block first atom: 177
Blocpdb> 14 atoms in block 26
Block first atom: 186
Blocpdb> 11 atoms in block 27
Block first atom: 200
Blocpdb> 12 atoms in block 28
Block first atom: 211
Blocpdb> 8 atoms in block 29
Block first atom: 223
Blocpdb> 5 atoms in block 30
Block first atom: 231
Blocpdb> 6 atoms in block 31
Block first atom: 236
Blocpdb> 5 atoms in block 32
Block first atom: 242
Blocpdb> 11 atoms in block 33
Block first atom: 247
Blocpdb> 11 atoms in block 34
Block first atom: 258
Blocpdb> 8 atoms in block 35
Block first atom: 269
Blocpdb> 9 atoms in block 36
Block first atom: 277
Blocpdb> 9 atoms in block 37
Block first atom: 286
Blocpdb> 12 atoms in block 38
Block first atom: 295
Blocpdb> 8 atoms in block 39
Block first atom: 307
Blocpdb> 9 atoms in block 40
Block first atom: 315
Blocpdb> 6 atoms in block 41
Block first atom: 324
Blocpdb> 7 atoms in block 42
Block first atom: 330
Blocpdb> 9 atoms in block 43
Block first atom: 337
Blocpdb> 9 atoms in block 44
Block first atom: 346
Blocpdb> 8 atoms in block 45
Block first atom: 355
Blocpdb> 9 atoms in block 46
Block first atom: 363
Blocpdb> 5 atoms in block 47
Block first atom: 372
Blocpdb> 7 atoms in block 48
Block first atom: 377
Blocpdb> 11 atoms in block 49
Block first atom: 384
Blocpdb> 11 atoms in block 50
Block first atom: 395
Blocpdb> 12 atoms in block 51
Block first atom: 406
Blocpdb> 11 atoms in block 52
Block first atom: 418
Blocpdb> 7 atoms in block 53
Block first atom: 429
Blocpdb> 7 atoms in block 54
Block first atom: 436
Blocpdb> 8 atoms in block 55
Block first atom: 443
Blocpdb> 9 atoms in block 56
Block first atom: 451
Blocpdb> 7 atoms in block 57
Block first atom: 460
Blocpdb> 9 atoms in block 58
Block first atom: 467
Blocpdb> 8 atoms in block 59
Block first atom: 476
Blocpdb> 7 atoms in block 60
Block first atom: 484
Blocpdb> 8 atoms in block 61
Block first atom: 491
Blocpdb> 11 atoms in block 62
Block first atom: 499
Blocpdb> 8 atoms in block 63
Block first atom: 510
Blocpdb> 11 atoms in block 64
Block first atom: 518
Blocpdb> 9 atoms in block 65
Block first atom: 529
Blocpdb> 12 atoms in block 66
Block first atom: 538
Blocpdb> 9 atoms in block 67
Block first atom: 550
Blocpdb> 7 atoms in block 68
Block first atom: 559
Blocpdb> 11 atoms in block 69
Block first atom: 566
Blocpdb> 9 atoms in block 70
Block first atom: 577
Blocpdb> 8 atoms in block 71
Block first atom: 586
Blocpdb> 9 atoms in block 72
Block first atom: 594
Blocpdb> 6 atoms in block 73
Block first atom: 603
Blocpdb> 11 atoms in block 74
Block first atom: 609
Blocpdb> 12 atoms in block 75
Block first atom: 620
Blocpdb> 8 atoms in block 76
Block first atom: 632
Blocpdb> 6 atoms in block 77
Block first atom: 640
Blocpdb> 6 atoms in block 78
Block first atom: 646
Blocpdb> 12 atoms in block 79
Block first atom: 652
Blocpdb> 8 atoms in block 80
Block first atom: 664
Blocpdb> 8 atoms in block 81
Block first atom: 672
Blocpdb> 7 atoms in block 82
Block first atom: 680
Blocpdb> 9 atoms in block 83
Block first atom: 687
Blocpdb> 11 atoms in block 84
Block first atom: 696
Blocpdb> 9 atoms in block 85
Block first atom: 707
Blocpdb> 8 atoms in block 86
Block first atom: 716
Blocpdb> 4 atoms in block 87
Block first atom: 724
Blocpdb> 7 atoms in block 88
Block first atom: 728
Blocpdb> 7 atoms in block 89
Block first atom: 735
Blocpdb> 6 atoms in block 90
Block first atom: 742
Blocpdb> 11 atoms in block 91
Block first atom: 748
Blocpdb> 12 atoms in block 92
Block first atom: 759
Blocpdb> 9 atoms in block 93
Block first atom: 771
Blocpdb> 4 atoms in block 94
Block first atom: 780
Blocpdb> 4 atoms in block 95
Block first atom: 784
Blocpdb> 11 atoms in block 96
Block first atom: 788
Blocpdb> 9 atoms in block 97
Block first atom: 799
Blocpdb> 10 atoms in block 98
Block first atom: 808
Blocpdb> 7 atoms in block 99
Block first atom: 818
Blocpdb> 5 atoms in block 100
Block first atom: 825
Blocpdb> 10 atoms in block 101
Block first atom: 830
Blocpdb> 8 atoms in block 102
Block first atom: 840
Blocpdb> 8 atoms in block 103
Block first atom: 848
Blocpdb> 11 atoms in block 104
Block first atom: 856
Blocpdb> 8 atoms in block 105
Block first atom: 867
Blocpdb> 11 atoms in block 106
Block first atom: 875
Blocpdb> 8 atoms in block 107
Block first atom: 886
Blocpdb> 7 atoms in block 108
Block first atom: 894
Blocpdb> 9 atoms in block 109
Block first atom: 901
Blocpdb> 7 atoms in block 110
Block first atom: 910
Blocpdb> 8 atoms in block 111
Block first atom: 917
Blocpdb> 8 atoms in block 112
Block first atom: 925
Blocpdb> 11 atoms in block 113
Block first atom: 933
Blocpdb> 4 atoms in block 114
Block first atom: 944
Blocpdb> 6 atoms in block 115
Block first atom: 948
Blocpdb> 12 atoms in block 116
Block first atom: 954
Blocpdb> 8 atoms in block 117
Block first atom: 966
Blocpdb> 8 atoms in block 118
Block first atom: 974
Blocpdb> 8 atoms in block 119
Block first atom: 982
Blocpdb> 9 atoms in block 120
Block first atom: 990
Blocpdb> 9 atoms in block 121
Block first atom: 999
Blocpdb> 8 atoms in block 122
Block first atom: 1008
Blocpdb> 14 atoms in block 123
Block first atom: 1016
Blocpdb> 4 atoms in block 124
Block first atom: 1030
Blocpdb> 8 atoms in block 125
Block first atom: 1034
Blocpdb> 6 atoms in block 126
Block first atom: 1042
Blocpdb> 11 atoms in block 127
Block first atom: 1048
Blocpdb> 12 atoms in block 128
Block first atom: 1059
Blocpdb> 5 atoms in block 129
Block first atom: 1071
Blocpdb> 8 atoms in block 130
Block first atom: 1076
Blocpdb> 9 atoms in block 131
Block first atom: 1084
Blocpdb> 7 atoms in block 132
Block first atom: 1093
Blocpdb> 9 atoms in block 133
Block first atom: 1100
Blocpdb> 7 atoms in block 134
Block first atom: 1109
Blocpdb> 7 atoms in block 135
Block first atom: 1116
Blocpdb> 9 atoms in block 136
Block first atom: 1123
Blocpdb> 9 atoms in block 137
Block first atom: 1132
Blocpdb> 9 atoms in block 138
Block first atom: 1141
Blocpdb> 8 atoms in block 139
Block first atom: 1150
Blocpdb> 4 atoms in block 140
Block first atom: 1158
Blocpdb> 9 atoms in block 141
Block first atom: 1162
Blocpdb> 11 atoms in block 142
Block first atom: 1171
Blocpdb> 12 atoms in block 143
Block first atom: 1182
Blocpdb> 9 atoms in block 144
Block first atom: 1194
Blocpdb> 5 atoms in block 145
Block first atom: 1203
Blocpdb> 8 atoms in block 146
Block first atom: 1208
Blocpdb> 8 atoms in block 147
Block first atom: 1216
Blocpdb> 6 atoms in block 148
Block first atom: 1224
Blocpdb> 8 atoms in block 149
Block first atom: 1230
Blocpdb> 11 atoms in block 150
Block first atom: 1238
Blocpdb> 8 atoms in block 151
Block first atom: 1249
Blocpdb> 7 atoms in block 152
Block first atom: 1257
Blocpdb> 11 atoms in block 153
Block first atom: 1264
Blocpdb> 6 atoms in block 154
Block first atom: 1275
Blocpdb> 8 atoms in block 155
Block first atom: 1281
Blocpdb> 7 atoms in block 156
Block first atom: 1289
Blocpdb> 8 atoms in block 157
Block first atom: 1296
Blocpdb> 12 atoms in block 158
Block first atom: 1304
Blocpdb> 7 atoms in block 159
Block first atom: 1316
Blocpdb> 8 atoms in block 160
Block first atom: 1323
Blocpdb> 14 atoms in block 161
Block first atom: 1331
Blocpdb> 9 atoms in block 162
Block first atom: 1345
Blocpdb> 9 atoms in block 163
Block first atom: 1354
Blocpdb> 8 atoms in block 164
Block first atom: 1363
Blocpdb> 9 atoms in block 165
Block first atom: 1371
Blocpdb> 6 atoms in block 166
Block first atom: 1380
Blocpdb> 9 atoms in block 167
Block first atom: 1386
Blocpdb> 7 atoms in block 168
Block first atom: 1395
Blocpdb> 8 atoms in block 169
Block first atom: 1402
Blocpdb> 9 atoms in block 170
Block first atom: 1410
Blocpdb> 9 atoms in block 171
Block first atom: 1419
Blocpdb> 9 atoms in block 172
Block first atom: 1428
Blocpdb> 10 atoms in block 173
Block first atom: 1437
Blocpdb> 9 atoms in block 174
Block first atom: 1447
Blocpdb> 9 atoms in block 175
Block first atom: 1456
Blocpdb> 9 atoms in block 176
Block first atom: 1465
Blocpdb> 11 atoms in block 177
Block first atom: 1474
Blocpdb> 9 atoms in block 178
Block first atom: 1485
Blocpdb> 9 atoms in block 179
Block first atom: 1493
Blocpdb> 179 blocks.
Blocpdb> At most, 14 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> 540795 matrix lines read.
Prepmat> Matrix order = 4506
Prepmat> Matrix trace = 1181520.0000
Prepmat> Last element read: 4506 4506 121.3690
Prepmat> 16111 lines saved.
Prepmat> 13914 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: 1502
RTB> Total mass = 1502.0000
RTB> Number of atoms found in matrix: 1502
RTB> Number of blocks = 179
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 257530.3307
RTB> 76371 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 = 1074
Diagstd> Nb of non-zero elements: 76371
Diagstd> Projected matrix trace = 257530.3307
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1074 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 257530.3307
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 2.3269183 4.5118137 5.2324336 5.8479675
8.1977845 8.7485989 9.2265069 9.7023687 11.1067202
11.7437241 12.2491760 13.0091487 13.7841729 14.8646071
16.3674248 16.6627141 17.0591412 17.9338881 18.3518718
19.3616510 19.8032441 20.5197837 20.8830279 21.8522647
23.2129516 23.8696540 25.0898715 25.2494348 26.6723993
28.3316517 29.4669505 30.0394929 31.5343374 32.1920055
33.4918963 34.0506183 34.6755651 35.3335889 35.7304454
36.1978434 38.0719809 39.0085152 39.6824903 40.3860918
40.6635510 41.5210934 42.3192328 43.0620101 43.9871654
45.4404844 46.0551627 46.9061151 47.9841307 48.1403033
49.1491373 49.8935747 50.6964607 51.0525931 52.8521232
54.0137209 54.3267552 54.8884320 54.9672012 56.1026162
56.9632301 58.0911870 58.4767000 59.9701230 60.4708312
61.4893802 61.8490974 62.7029290 63.1772919 64.4258530
65.2986383 65.4762385 67.0558495 67.7171050 67.9485081
68.3255675 68.7341941 69.1483910 70.0488644 70.5354271
70.9233493 71.6580439 72.7425227 73.4200090 74.0190037
74.9743190 76.4748798 76.8403407 77.2186669 77.7631591
78.3634374 79.6168116 81.0922910 81.3382798 81.5169684
81.6506277
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034335 0.0034337 0.0034344 0.0034346
0.0034347 165.6478672 230.6592412 248.3974556 262.6018340
310.9163268 321.1918612 329.8480618 338.2471665 361.8996770
372.1330139 380.0569833 391.6694694 403.1676123 418.6701489
439.3245342 443.2698076 448.5117888 459.8672778 465.1954560
477.8223655 483.2406394 491.9054893 496.2402819 507.6255890
523.1912396 530.5402555 543.9318616 545.6587334 560.8236540
578.0045103 589.4715878 595.1707490 609.7996001 616.1256609
628.4419234 633.6621719 639.4506807 645.4894613 649.1043134
653.3360595 670.0358152 678.2268676 684.0608564 690.0986763
692.4651653 699.7286743 706.4219307 712.5944402 720.2085426
732.0095659 736.9439212 743.7209455 752.2186483 753.4417668
761.2954427 767.0392551 773.1862116 775.8971975 789.4533999
798.0816555 800.3909391 804.5178653 805.0949310 813.3675417
819.5823260 827.6570248 830.3987912 840.9356233 844.4389351
851.5209513 854.0080480 859.8826665 863.1291482 871.6163511
877.5004392 878.6929487 889.2289936 893.6026991 895.1282078
897.6083913 900.2885001 902.9970257 908.8575722 912.0085932
914.5130319 919.2375457 926.1673342 930.4702609 934.2581556
940.2677595 949.6305589 951.8969192 954.2373912 957.5957895
961.2846760 968.9417540 977.8788776 979.3609244 980.4360922
981.2395490
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1502
Rtb_to_modes> Number of blocs = 179
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: 9.9910E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.327
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.512
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.232
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.848
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.198
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.749
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.227
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.702
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.74
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.25
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.78
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.86
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 16.37
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.66
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.06
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.93
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.35
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 19.36
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.80
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.52
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.88
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 21.85
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 23.21
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 23.87
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 25.09
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 26.67
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.33
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.47
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.04
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 31.53
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 32.19
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 33.49
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 34.05
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 34.68
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 35.33
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.73
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 36.20
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 39.01
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 39.68
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 40.39
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 40.66
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 41.52
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 42.32
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.06
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 43.99
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.44
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 46.06
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 46.91
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 47.98
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 48.14
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 49.15
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 49.89
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 50.70
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 51.05
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 52.85
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 54.01
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 54.33
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 54.89
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 54.97
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 56.10
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 56.96
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.09
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 58.48
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 59.97
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.47
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 61.49
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 61.85
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 62.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 63.18
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 64.43
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 65.30
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 65.48
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 67.06
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 67.72
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 67.95
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 68.33
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.73
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 69.15
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 70.05
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 70.54
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 70.92
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 71.66
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 72.74
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 73.42
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 74.02
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 74.97
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 76.47
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 76.84
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 77.22
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 77.76
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 78.36
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 79.62
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 81.09
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 81.34
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 81.52
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 81.65
Rtb_to_modes> 106 vectors, with 1074 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99997 0.99999 1.00000 1.00000 1.00000
1.00001 0.99998 1.00003 0.99998 1.00000
0.99999 0.99999 1.00000 1.00004 0.99999
1.00001 1.00003 0.99999 0.99999 1.00004
0.99999 0.99998 1.00002 0.99997 0.99998
0.99999 0.99998 1.00003 0.99997 1.00000
1.00001 1.00004 0.99998 1.00001 0.99999
1.00001 1.00001 1.00001 1.00000 1.00000
1.00000 0.99997 1.00000 0.99998 1.00000
0.99999 1.00002 1.00002 0.99997 1.00001
1.00001 1.00000 1.00000 1.00000 0.99999
1.00001 1.00002 1.00002 0.99999 0.99999
0.99998 1.00002 1.00001 1.00001 1.00002
0.99999 0.99999 1.00000 0.99998 0.99999
0.99998 0.99999 0.99999 1.00001 0.99999
1.00000 1.00000 0.99998 1.00001 0.99998
0.99998 1.00002 1.00000 0.99999 0.99999
1.00000 1.00001 1.00000 1.00002 0.99998
1.00001 1.00002 0.99997 1.00000 1.00002
0.99998 0.99997 1.00003 1.00000 0.99999
1.00000 1.00004 1.00000 1.00000 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 27036 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99997 0.99999 1.00000 1.00000 1.00000
1.00001 0.99998 1.00003 0.99998 1.00000
0.99999 0.99999 1.00000 1.00004 0.99999
1.00001 1.00003 0.99999 0.99999 1.00004
0.99999 0.99998 1.00002 0.99997 0.99998
0.99999 0.99998 1.00003 0.99997 1.00000
1.00001 1.00004 0.99998 1.00001 0.99999
1.00001 1.00001 1.00001 1.00000 1.00000
1.00000 0.99997 1.00000 0.99998 1.00000
0.99999 1.00002 1.00002 0.99997 1.00001
1.00001 1.00000 1.00000 1.00000 0.99999
1.00001 1.00002 1.00002 0.99999 0.99999
0.99998 1.00002 1.00001 1.00001 1.00002
0.99999 0.99999 1.00000 0.99998 0.99999
0.99998 0.99999 0.99999 1.00001 0.99999
1.00000 1.00000 0.99998 1.00001 0.99998
0.99998 1.00002 1.00000 0.99999 0.99999
1.00000 1.00001 1.00000 1.00002 0.99998
1.00001 1.00002 0.99997 1.00000 1.00002
0.99998 0.99997 1.00003 1.00000 0.99999
1.00000 1.00004 1.00000 1.00000 0.99999
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000 0.000
Vector 5:-0.000-0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000 0.000-0.000-0.000 0.000 0.000
Vector 8:-0.000-0.000 0.000 0.000-0.000-0.000 0.000
Vector 9:-0.000-0.000 0.000-0.000 0.000-0.000 0.000 0.000
Vector 10: 0.000-0.000 0.000-0.000-0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240110225123556539.eigenfacs
Openam> file on opening on unit 10:
240110225123556539.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110225123556539.atom
Openam> file on opening on unit 11:
240110225123556539.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 = 179
First residue number = 0
Last residue number = 178
Number of atoms found = 1502
Mean number per residue = 8.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9910E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-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: 2.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 21.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 23.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 23.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 25.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 26.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 31.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 32.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 33.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 34.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 34.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 35.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 36.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 39.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 39.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 40.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 40.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 41.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 42.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 43.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 45.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 46.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 46.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 47.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 48.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 49.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 49.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 50.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 51.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 52.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 54.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 54.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 54.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 54.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 56.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 56.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 58.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 59.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 61.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 61.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 62.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 63.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 64.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 65.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 65.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 67.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 67.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 67.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 68.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 69.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 70.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 70.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 70.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 71.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 72.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 73.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 74.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 74.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 76.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 76.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 77.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 77.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 78.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 79.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 81.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 81.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 81.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 81.65
Bfactors> 106 vectors, 4506 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 : 2.327000
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= 0.673 for 179 C-alpha atoms.
Bfactors> = 0.033 +/- 0.04
Bfactors> = 11.652 +/- 5.70
Bfactors> Shiftng-fct= 11.620
Bfactors> Scaling-fct= 129.663
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240110225123556539 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=0
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=100
240110225123556539.eigenfacs
240110225123556539.atom
making animated gifs
11 models are in 240110225123556539.7.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 240110225123556539.7.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 240110225123556539.7.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 240110225123556539 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=0
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=100
240110225123556539.eigenfacs
240110225123556539.atom
making animated gifs
11 models are in 240110225123556539.8.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 240110225123556539.8.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 240110225123556539.8.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 240110225123556539 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=0
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=100
240110225123556539.eigenfacs
240110225123556539.atom
making animated gifs
11 models are in 240110225123556539.9.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 240110225123556539.9.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 240110225123556539.9.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 240110225123556539 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=0
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=100
240110225123556539.eigenfacs
240110225123556539.atom
making animated gifs
11 models are in 240110225123556539.10.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 240110225123556539.10.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 240110225123556539.10.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 240110225123556539 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=-20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=0
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=20
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=40
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=60
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=80
240110225123556539.eigenfacs
240110225123556539.atom
calculating perturbed structure for DQ=100
240110225123556539.eigenfacs
240110225123556539.atom
making animated gifs
11 models are in 240110225123556539.11.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 240110225123556539.11.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 240110225123556539.11.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
240110225123556539.10.pdb
240110225123556539.11.pdb
240110225123556539.7.pdb
240110225123556539.8.pdb
240110225123556539.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m17.325s
user 0m17.273s
sys 0m0.052s
../../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: 240110225123556539.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.
|
