*** CME2 ***
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 = 240123140906140714.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 240123140906140714.atom to be opened.
Openam> File opened: 240123140906140714.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 = 165
First residue number = 1
Last residue number = 165
Number of atoms found = 1142
Mean number per residue = 6.9
Pdbmat> Coordinate statistics:
= -3.929112 +/- 12.743288 From: -35.312000 To: 21.906000
= 2.741230 +/- 9.863888 From: -22.641000 To: 28.797000
= -3.584229 +/- 14.236128 From: -45.594000 To: 26.844000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.2758 % Filled.
Pdbmat> 251007 non-zero elements.
Pdbmat> 27160 atom-atom interactions.
Pdbmat> Number per atom= 47.57 +/- 18.48
Maximum number = 99
Minimum number = 8
Pdbmat> Matrix trace = 543200.
Pdbmat> Larger element = 412.833
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
165 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 = 240123140906140714.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 240123140906140714.atom to be opened.
Openam> file on opening on unit 11:
240123140906140714.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1142 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> 165 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 4 atoms in block 2
Block first atom: 9
Blocpdb> 4 atoms in block 3
Block first atom: 13
Blocpdb> 6 atoms in block 4
Block first atom: 17
Blocpdb> 5 atoms in block 5
Block first atom: 23
Blocpdb> 6 atoms in block 6
Block first atom: 28
Blocpdb> 8 atoms in block 7
Block first atom: 34
Blocpdb> 9 atoms in block 8
Block first atom: 42
Blocpdb> 10 atoms in block 9
Block first atom: 51
Blocpdb> 7 atoms in block 10
Block first atom: 61
Blocpdb> 5 atoms in block 11
Block first atom: 68
Blocpdb> 7 atoms in block 12
Block first atom: 73
Blocpdb> 11 atoms in block 13
Block first atom: 80
Blocpdb> 4 atoms in block 14
Block first atom: 91
Blocpdb> 6 atoms in block 15
Block first atom: 95
Blocpdb> 9 atoms in block 16
Block first atom: 101
Blocpdb> 8 atoms in block 17
Block first atom: 110
Blocpdb> 5 atoms in block 18
Block first atom: 118
Blocpdb> 7 atoms in block 19
Block first atom: 123
Blocpdb> 8 atoms in block 20
Block first atom: 130
Blocpdb> 4 atoms in block 21
Block first atom: 138
Blocpdb> 4 atoms in block 22
Block first atom: 142
Blocpdb> 4 atoms in block 23
Block first atom: 146
Blocpdb> 4 atoms in block 24
Block first atom: 150
Blocpdb> 4 atoms in block 25
Block first atom: 154
Blocpdb> 8 atoms in block 26
Block first atom: 158
Blocpdb> 12 atoms in block 27
Block first atom: 166
Blocpdb> 7 atoms in block 28
Block first atom: 178
Blocpdb> 5 atoms in block 29
Block first atom: 185
Blocpdb> 6 atoms in block 30
Block first atom: 190
Blocpdb> 10 atoms in block 31
Block first atom: 196
Blocpdb> 7 atoms in block 32
Block first atom: 206
Blocpdb> 7 atoms in block 33
Block first atom: 213
Blocpdb> 8 atoms in block 34
Block first atom: 220
Blocpdb> 4 atoms in block 35
Block first atom: 228
Blocpdb> 7 atoms in block 36
Block first atom: 232
Blocpdb> 9 atoms in block 37
Block first atom: 239
Blocpdb> 8 atoms in block 38
Block first atom: 248
Blocpdb> 8 atoms in block 39
Block first atom: 256
Blocpdb> 4 atoms in block 40
Block first atom: 264
Blocpdb> 4 atoms in block 41
Block first atom: 268
Blocpdb> 4 atoms in block 42
Block first atom: 272
Blocpdb> 4 atoms in block 43
Block first atom: 276
Blocpdb> 4 atoms in block 44
Block first atom: 280
Blocpdb> 8 atoms in block 45
Block first atom: 284
Blocpdb> 9 atoms in block 46
Block first atom: 292
Blocpdb> 7 atoms in block 47
Block first atom: 301
Blocpdb> 6 atoms in block 48
Block first atom: 308
Blocpdb> 8 atoms in block 49
Block first atom: 314
Blocpdb> 9 atoms in block 50
Block first atom: 322
Blocpdb> 8 atoms in block 51
Block first atom: 331
Blocpdb> 4 atoms in block 52
Block first atom: 339
Blocpdb> 8 atoms in block 53
Block first atom: 343
Blocpdb> 9 atoms in block 54
Block first atom: 351
Blocpdb> 7 atoms in block 55
Block first atom: 360
Blocpdb> 8 atoms in block 56
Block first atom: 367
Blocpdb> 8 atoms in block 57
Block first atom: 375
Blocpdb> 6 atoms in block 58
Block first atom: 383
Blocpdb> 10 atoms in block 59
Block first atom: 389
Blocpdb> 8 atoms in block 60
Block first atom: 399
Blocpdb> 14 atoms in block 61
Block first atom: 407
Blocpdb> 7 atoms in block 62
Block first atom: 421
Blocpdb> 4 atoms in block 63
Block first atom: 428
Blocpdb> 4 atoms in block 64
Block first atom: 432
Blocpdb> 4 atoms in block 65
Block first atom: 436
Blocpdb> 4 atoms in block 66
Block first atom: 440
Blocpdb> 4 atoms in block 67
Block first atom: 444
Blocpdb> 7 atoms in block 68
Block first atom: 448
Blocpdb> 6 atoms in block 69
Block first atom: 455
Blocpdb> 5 atoms in block 70
Block first atom: 461
Blocpdb> 7 atoms in block 71
Block first atom: 466
Blocpdb> 6 atoms in block 72
Block first atom: 473
Blocpdb> 7 atoms in block 73
Block first atom: 479
Blocpdb> 8 atoms in block 74
Block first atom: 486
Blocpdb> 7 atoms in block 75
Block first atom: 494
Blocpdb> 4 atoms in block 76
Block first atom: 501
Blocpdb> 7 atoms in block 77
Block first atom: 505
Blocpdb> 8 atoms in block 78
Block first atom: 512
Blocpdb> 4 atoms in block 79
Block first atom: 520
Blocpdb> 10 atoms in block 80
Block first atom: 524
Blocpdb> 11 atoms in block 81
Block first atom: 534
Blocpdb> 4 atoms in block 82
Block first atom: 545
Blocpdb> 4 atoms in block 83
Block first atom: 549
Blocpdb> 4 atoms in block 84
Block first atom: 553
Blocpdb> 4 atoms in block 85
Block first atom: 557
Blocpdb> 4 atoms in block 86
Block first atom: 561
Blocpdb> 10 atoms in block 87
Block first atom: 565
Blocpdb> 5 atoms in block 88
Block first atom: 575
Blocpdb> 5 atoms in block 89
Block first atom: 580
Blocpdb> 7 atoms in block 90
Block first atom: 585
Blocpdb> 7 atoms in block 91
Block first atom: 592
Blocpdb> 8 atoms in block 92
Block first atom: 599
Blocpdb> 10 atoms in block 93
Block first atom: 607
Blocpdb> 9 atoms in block 94
Block first atom: 617
Blocpdb> 9 atoms in block 95
Block first atom: 626
Blocpdb> 14 atoms in block 96
Block first atom: 635
Blocpdb> 9 atoms in block 97
Block first atom: 649
Blocpdb> 12 atoms in block 98
Block first atom: 658
Blocpdb> 8 atoms in block 99
Block first atom: 670
Blocpdb> 6 atoms in block 100
Block first atom: 678
Blocpdb> 7 atoms in block 101
Block first atom: 684
Blocpdb> 8 atoms in block 102
Block first atom: 691
Blocpdb> 7 atoms in block 103
Block first atom: 699
Blocpdb> 7 atoms in block 104
Block first atom: 706
Blocpdb> 11 atoms in block 105
Block first atom: 713
Blocpdb> 8 atoms in block 106
Block first atom: 724
Blocpdb> 5 atoms in block 107
Block first atom: 732
Blocpdb> 9 atoms in block 108
Block first atom: 737
Blocpdb> 8 atoms in block 109
Block first atom: 746
Blocpdb> 4 atoms in block 110
Block first atom: 754
Blocpdb> 8 atoms in block 111
Block first atom: 758
Blocpdb> 11 atoms in block 112
Block first atom: 766
Blocpdb> 9 atoms in block 113
Block first atom: 777
Blocpdb> 4 atoms in block 114
Block first atom: 786
Blocpdb> 9 atoms in block 115
Block first atom: 790
Blocpdb> 8 atoms in block 116
Block first atom: 799
Blocpdb> 10 atoms in block 117
Block first atom: 807
Blocpdb> 8 atoms in block 118
Block first atom: 817
Blocpdb> 7 atoms in block 119
Block first atom: 825
Blocpdb> 11 atoms in block 120
Block first atom: 832
Blocpdb> 4 atoms in block 121
Block first atom: 843
Blocpdb> 4 atoms in block 122
Block first atom: 847
Blocpdb> 4 atoms in block 123
Block first atom: 851
Blocpdb> 4 atoms in block 124
Block first atom: 855
Blocpdb> 4 atoms in block 125
Block first atom: 859
Blocpdb> 8 atoms in block 126
Block first atom: 863
Blocpdb> 8 atoms in block 127
Block first atom: 871
Blocpdb> 6 atoms in block 128
Block first atom: 879
Blocpdb> 8 atoms in block 129
Block first atom: 885
Blocpdb> 7 atoms in block 130
Block first atom: 893
Blocpdb> 4 atoms in block 131
Block first atom: 900
Blocpdb> 8 atoms in block 132
Block first atom: 904
Blocpdb> 5 atoms in block 133
Block first atom: 912
Blocpdb> 7 atoms in block 134
Block first atom: 917
Blocpdb> 4 atoms in block 135
Block first atom: 924
Blocpdb> 8 atoms in block 136
Block first atom: 928
Blocpdb> 6 atoms in block 137
Block first atom: 936
Blocpdb> 8 atoms in block 138
Block first atom: 942
Blocpdb> 4 atoms in block 139
Block first atom: 950
Blocpdb> 4 atoms in block 140
Block first atom: 954
Blocpdb> 4 atoms in block 141
Block first atom: 958
Blocpdb> 4 atoms in block 142
Block first atom: 962
Blocpdb> 4 atoms in block 143
Block first atom: 966
Blocpdb> 7 atoms in block 144
Block first atom: 970
Blocpdb> 7 atoms in block 145
Block first atom: 977
Blocpdb> 8 atoms in block 146
Block first atom: 984
Blocpdb> 7 atoms in block 147
Block first atom: 992
Blocpdb> 7 atoms in block 148
Block first atom: 999
Blocpdb> 4 atoms in block 149
Block first atom: 1006
Blocpdb> 6 atoms in block 150
Block first atom: 1010
Blocpdb> 7 atoms in block 151
Block first atom: 1016
Blocpdb> 9 atoms in block 152
Block first atom: 1023
Blocpdb> 7 atoms in block 153
Block first atom: 1032
Blocpdb> 8 atoms in block 154
Block first atom: 1039
Blocpdb> 7 atoms in block 155
Block first atom: 1047
Blocpdb> 4 atoms in block 156
Block first atom: 1054
Blocpdb> 8 atoms in block 157
Block first atom: 1058
Blocpdb> 11 atoms in block 158
Block first atom: 1066
Blocpdb> 6 atoms in block 159
Block first atom: 1077
Blocpdb> 10 atoms in block 160
Block first atom: 1083
Blocpdb> 10 atoms in block 161
Block first atom: 1093
Blocpdb> 10 atoms in block 162
Block first atom: 1103
Blocpdb> 10 atoms in block 163
Block first atom: 1113
Blocpdb> 10 atoms in block 164
Block first atom: 1123
Blocpdb> 10 atoms in block 165
Block first atom: 1132
Blocpdb> 165 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> 251172 matrix lines read.
Prepmat> Matrix order = 3426
Prepmat> Matrix trace = 543200.0000
Prepmat> Last element read: 3426 3426 56.5607
Prepmat> 13696 lines saved.
Prepmat> 12445 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: 1142
RTB> Total mass = 1142.0000
RTB> Number of atoms found in matrix: 1142
RTB> Number of blocks = 165
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 133309.3004
RTB> 42525 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 = 990
Diagstd> Nb of non-zero elements: 42525
Diagstd> Projected matrix trace = 133309.3004
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 990 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 133309.3004
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 0.0022049 0.0028048 0.0204192 0.0310894
0.1310269 0.1569014 0.2800854 0.3885992 0.4009790
0.4861973 0.5852372 0.6778377 0.7621830 0.8198293
0.9257181 1.0533828 1.1235598 1.3339609 1.4642661
1.5357164 1.5946429 1.7116397 2.1522422 2.2055476
2.3059379 2.3702603 2.4964010 2.6594725 2.7337553
2.9130173 3.2239132 3.2750002 3.5120071 3.7180780
4.0250693 4.0586506 4.2738901 4.3955727 4.4939442
4.6682323 4.7919845 4.9605285 5.0948946 5.2715505
5.5273349 6.0631222 6.2821843 6.5166385 6.5388256
6.6948284 6.8592633 7.2774436 7.2980894 7.8603799
7.9274095 8.0457482 8.3330496 8.8283713 8.9235944
8.9421701 9.1933128 9.4903736 9.6874414 10.0856427
10.1352208 10.2546322 10.5329945 10.7393901 11.1341990
11.2716664 11.8445678 11.9988304 12.1102657 12.2797123
12.4777290 12.5856198 12.6447933 12.9795216 13.4306598
13.6407717 13.7419500 13.9077146 14.4276760 14.6526609
14.9128478 15.3263463 15.4687499 15.9443566 16.1855987
16.4205755 16.6299370 16.9768468 17.0219722 17.5370407
17.9127956 18.0526991 18.3241779 18.6289457 18.7206920
18.9595004
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034335 0.0034338 0.0034339 0.0034339
0.0034341 5.0990152 5.7510758 15.5172397 19.1470449
39.3075080 43.0138927 57.4699050 67.6933831 68.7632046
75.7184228 83.0732563 89.4042430 94.8036187 98.3234249
104.4803587 111.4521328 115.1047828 125.4200093 131.4029996
134.5707848 137.1282736 142.0696986 159.3091984 161.2699690
164.8994028 167.1834560 171.5743853 177.0895891 179.5457390
185.3389988 194.9786006 196.5173714 203.5040101 209.3893217
217.8622396 218.7691661 224.4951474 227.6685349 230.2020125
234.6235012 237.7130274 241.8573295 245.1110461 249.3242193
255.3013839 267.3889415 272.1764940 277.2088527 277.6803554
280.9732694 284.4028986 292.9440656 293.3593066 304.4507509
305.7461010 308.0197041 313.4709233 322.6529013 324.3883075
324.7257609 329.2541806 334.5314368 337.9868655 344.8633718
345.7099573 347.7405408 352.4286520 355.8648468 362.3470838
364.5770643 373.7273573 376.1531804 377.8958447 380.5304161
383.5862703 385.2410734 386.1456499 391.2232197 397.9641533
401.0649874 402.5496577 404.9702918 412.4710480 415.6746400
419.3489622 425.1229960 427.0934288 433.6094916 436.8774865
440.0372755 442.8336173 447.4286558 448.0229057 454.7507617
459.5967671 461.3880610 464.8443212 468.6940268 469.8467525
472.8340290
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1142
Rtb_to_modes> Number of blocs = 165
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: 9.9945E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.2049E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.8048E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.0419E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.1089E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1310
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1569
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2801
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3886
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4010
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4862
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5852
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6778
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.7622
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.8198
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.9257
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.053
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.124
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.334
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.464
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.536
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.595
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.712
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.152
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.206
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.306
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.370
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.496
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.659
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.734
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.913
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.224
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.275
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.512
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.718
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 4.025
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 4.059
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.274
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.396
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 4.494
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 4.668
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 4.792
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 4.961
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.095
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 5.272
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 5.527
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.063
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.282
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 6.517
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 6.539
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 6.695
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 6.859
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 7.277
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 7.298
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 7.860
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 7.927
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 8.046
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 8.333
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 8.828
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 8.924
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 8.942
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 9.193
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 9.490
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 9.687
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 10.09
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 10.25
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 10.53
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 10.74
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 11.13
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 11.27
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 12.11
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 12.28
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 12.48
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 12.98
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 13.43
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 13.64
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 13.74
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 13.91
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 14.65
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 14.91
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 15.33
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 15.47
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 15.94
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 16.19
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 16.42
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 16.63
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 16.98
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 17.02
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 17.54
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 17.91
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 18.05
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 18.32
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 18.63
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 18.72
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 18.96
Rtb_to_modes> 106 vectors, with 990 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99998 0.99999 1.00002 0.99998
0.99999 1.00001 0.99993 0.99998 1.00001
1.00001 1.00003 1.00001 0.99996 1.00000
0.99997 1.00001 1.00000 1.00001 1.00001
0.99998 1.00001 0.99999 1.00001 0.99998
1.00000 0.99998 1.00003 1.00000 1.00004
1.00000 1.00002 0.99999 1.00002 0.99999
1.00001 0.99997 1.00002 1.00000 0.99999
1.00003 0.99999 0.99999 1.00002 0.99999
1.00004 1.00002 1.00002 1.00001 0.99995
1.00000 0.99999 1.00001 1.00000 1.00000
0.99999 1.00002 0.99998 1.00000 0.99999
0.99997 0.99999 0.99999 1.00003 0.99999
0.99997 0.99999 0.99998 1.00000 0.99999
1.00000 1.00002 1.00000 0.99997 1.00001
1.00002 1.00001 0.99997 0.99998 1.00002
1.00002 0.99999 1.00001 1.00003 0.99997
1.00002 1.00000 1.00000 1.00001 0.99998
1.00003 1.00001 1.00000 1.00003 1.00003
1.00001 1.00002 0.99998 1.00002 1.00000
0.99998 0.99998 1.00000 1.00001 1.00002
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 20556 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99998 0.99999 1.00002 0.99998
0.99999 1.00001 0.99993 0.99998 1.00001
1.00001 1.00003 1.00001 0.99996 1.00000
0.99997 1.00001 1.00000 1.00001 1.00001
0.99998 1.00001 0.99999 1.00001 0.99998
1.00000 0.99998 1.00003 1.00000 1.00004
1.00000 1.00002 0.99999 1.00002 0.99999
1.00001 0.99997 1.00002 1.00000 0.99999
1.00003 0.99999 0.99999 1.00002 0.99999
1.00004 1.00002 1.00002 1.00001 0.99995
1.00000 0.99999 1.00001 1.00000 1.00000
0.99999 1.00002 0.99998 1.00000 0.99999
0.99997 0.99999 0.99999 1.00003 0.99999
0.99997 0.99999 0.99998 1.00000 0.99999
1.00000 1.00002 1.00000 0.99997 1.00001
1.00002 1.00001 0.99997 0.99998 1.00002
1.00002 0.99999 1.00001 1.00003 0.99997
1.00002 1.00000 1.00000 1.00001 0.99998
1.00003 1.00001 1.00000 1.00003 1.00003
1.00001 1.00002 0.99998 1.00002 1.00000
0.99998 0.99998 1.00000 1.00001 1.00002
0.99997
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> 240123140906140714.eigenfacs
Openam> file on opening on unit 10:
240123140906140714.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240123140906140714.atom
Openam> file on opening on unit 11:
240123140906140714.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 = 165
First residue number = 1
Last residue number = 165
Number of atoms found = 1142
Mean number per residue = 6.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9945E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.2049E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8048E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0419E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1089E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 4.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 4.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 4.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 4.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 4.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 4.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 5.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 5.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 6.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 6.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 6.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 6.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 7.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 7.298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 7.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 7.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 8.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 8.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 8.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 8.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 8.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 9.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 9.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 9.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 10.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 10.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 10.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 11.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 12.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 12.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 12.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 13.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 13.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 13.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 14.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 15.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 16.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 16.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 16.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 17.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 17.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 17.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 18.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 18.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 18.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 18.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 18.96
Bfactors> 106 vectors, 3426 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 : 0.002205
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= 0.043 for 165 C-alpha atoms.
Bfactors> = 10.131 +/- 26.25
Bfactors> = 30.884 +/- 5.01
Bfactors> Shiftng-fct= 20.753
Bfactors> Scaling-fct= 0.191
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240123140906140714 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=0
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=100
240123140906140714.eigenfacs
240123140906140714.atom
making animated gifs
11 models are in 240123140906140714.7.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 240123140906140714.7.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 240123140906140714.7.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 240123140906140714 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=0
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=100
240123140906140714.eigenfacs
240123140906140714.atom
making animated gifs
11 models are in 240123140906140714.8.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 240123140906140714.8.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 240123140906140714.8.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 240123140906140714 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=0
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=100
240123140906140714.eigenfacs
240123140906140714.atom
making animated gifs
11 models are in 240123140906140714.9.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 240123140906140714.9.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 240123140906140714.9.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 240123140906140714 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=0
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=100
240123140906140714.eigenfacs
240123140906140714.atom
making animated gifs
11 models are in 240123140906140714.10.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 240123140906140714.10.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 240123140906140714.10.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 240123140906140714 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=-20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=0
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=20
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=40
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=60
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=80
240123140906140714.eigenfacs
240123140906140714.atom
calculating perturbed structure for DQ=100
240123140906140714.eigenfacs
240123140906140714.atom
making animated gifs
11 models are in 240123140906140714.11.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 240123140906140714.11.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 240123140906140714.11.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
240123140906140714.10.pdb
240123140906140714.11.pdb
240123140906140714.7.pdb
240123140906140714.8.pdb
240123140906140714.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m13.202s
user 0m13.174s
sys 0m0.028s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240123140906140714.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.
|
