*** 4GAL_B_LAC ***
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 = 2404062203462717601.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 2404062203462717601.atom to be opened.
Openam> File opened: 2404062203462717601.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 = 135
First residue number = 1
Last residue number = 135
Number of atoms found = 1058
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 14.240972 +/- 8.785022 From: -5.091000 To: 35.470000
= 45.385357 +/- 7.350366 From: 27.536000 To: 62.824000
= 44.746354 +/- 7.925871 From: 23.545000 To: 64.075000
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 7.3481 % Filled.
Pdbmat> 370249 non-zero elements.
Pdbmat> 40439 atom-atom interactions.
Pdbmat> Number per atom= 76.44 +/- 23.39
Maximum number = 125
Minimum number = 16
Pdbmat> Matrix trace = 808780.
Pdbmat> Larger element = 474.223
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
135 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 = 2404062203462717601.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 2404062203462717601.atom to be opened.
Openam> file on opening on unit 11:
2404062203462717601.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1058 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> 135 residues.
Blocpdb> 6 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 7
Blocpdb> 7 atoms in block 3
Block first atom: 15
Blocpdb> 7 atoms in block 4
Block first atom: 22
Blocpdb> 10 atoms in block 5
Block first atom: 29
Blocpdb> 9 atoms in block 6
Block first atom: 39
Blocpdb> 6 atoms in block 7
Block first atom: 48
Blocpdb> 6 atoms in block 8
Block first atom: 54
Blocpdb> 8 atoms in block 9
Block first atom: 60
Blocpdb> 7 atoms in block 10
Block first atom: 68
Blocpdb> 9 atoms in block 11
Block first atom: 75
Blocpdb> 4 atoms in block 12
Block first atom: 84
Blocpdb> 8 atoms in block 13
Block first atom: 88
Blocpdb> 11 atoms in block 14
Block first atom: 96
Blocpdb> 7 atoms in block 15
Block first atom: 107
Blocpdb> 4 atoms in block 16
Block first atom: 114
Blocpdb> 7 atoms in block 17
Block first atom: 118
Blocpdb> 7 atoms in block 18
Block first atom: 125
Blocpdb> 8 atoms in block 19
Block first atom: 132
Blocpdb> 11 atoms in block 20
Block first atom: 140
Blocpdb> 8 atoms in block 21
Block first atom: 151
Blocpdb> 11 atoms in block 22
Block first atom: 159
Blocpdb> 4 atoms in block 23
Block first atom: 170
Blocpdb> 8 atoms in block 24
Block first atom: 174
Blocpdb> 7 atoms in block 25
Block first atom: 182
Blocpdb> 7 atoms in block 26
Block first atom: 189
Blocpdb> 7 atoms in block 27
Block first atom: 196
Blocpdb> 8 atoms in block 28
Block first atom: 203
Blocpdb> 5 atoms in block 29
Block first atom: 211
Blocpdb> 6 atoms in block 30
Block first atom: 216
Blocpdb> 11 atoms in block 31
Block first atom: 222
Blocpdb> 11 atoms in block 32
Block first atom: 233
Blocpdb> 10 atoms in block 33
Block first atom: 244
Blocpdb> 7 atoms in block 34
Block first atom: 254
Blocpdb> 8 atoms in block 35
Block first atom: 261
Blocpdb> 8 atoms in block 36
Block first atom: 269
Blocpdb> 8 atoms in block 37
Block first atom: 277
Blocpdb> 6 atoms in block 38
Block first atom: 285
Blocpdb> 4 atoms in block 39
Block first atom: 291
Blocpdb> 9 atoms in block 40
Block first atom: 295
Blocpdb> 9 atoms in block 41
Block first atom: 304
Blocpdb> 9 atoms in block 42
Block first atom: 313
Blocpdb> 4 atoms in block 43
Block first atom: 322
Blocpdb> 6 atoms in block 44
Block first atom: 326
Blocpdb> 8 atoms in block 45
Block first atom: 332
Blocpdb> 5 atoms in block 46
Block first atom: 340
Blocpdb> 5 atoms in block 47
Block first atom: 345
Blocpdb> 8 atoms in block 48
Block first atom: 350
Blocpdb> 10 atoms in block 49
Block first atom: 358
Blocpdb> 11 atoms in block 50
Block first atom: 368
Blocpdb> 8 atoms in block 51
Block first atom: 379
Blocpdb> 7 atoms in block 52
Block first atom: 387
Blocpdb> 11 atoms in block 53
Block first atom: 394
Blocpdb> 8 atoms in block 54
Block first atom: 405
Blocpdb> 8 atoms in block 55
Block first atom: 413
Blocpdb> 7 atoms in block 56
Block first atom: 421
Blocpdb> 6 atoms in block 57
Block first atom: 428
Blocpdb> 9 atoms in block 58
Block first atom: 434
Blocpdb> 7 atoms in block 59
Block first atom: 443
Blocpdb> 7 atoms in block 60
Block first atom: 450
Blocpdb> 11 atoms in block 61
Block first atom: 457
Blocpdb> 8 atoms in block 62
Block first atom: 468
Blocpdb> 6 atoms in block 63
Block first atom: 476
Blocpdb> 9 atoms in block 64
Block first atom: 482
Blocpdb> 9 atoms in block 65
Block first atom: 491
Blocpdb> 9 atoms in block 66
Block first atom: 500
Blocpdb> 4 atoms in block 67
Block first atom: 509
Blocpdb> 6 atoms in block 68
Block first atom: 513
Blocpdb> 14 atoms in block 69
Block first atom: 519
Blocpdb> 4 atoms in block 70
Block first atom: 533
Blocpdb> 11 atoms in block 71
Block first atom: 537
Blocpdb> 9 atoms in block 72
Block first atom: 548
Blocpdb> 9 atoms in block 73
Block first atom: 557
Blocpdb> 11 atoms in block 74
Block first atom: 566
Blocpdb> 4 atoms in block 75
Block first atom: 577
Blocpdb> 7 atoms in block 76
Block first atom: 581
Blocpdb> 4 atoms in block 77
Block first atom: 588
Blocpdb> 7 atoms in block 78
Block first atom: 592
Blocpdb> 7 atoms in block 79
Block first atom: 599
Blocpdb> 11 atoms in block 80
Block first atom: 606
Blocpdb> 9 atoms in block 81
Block first atom: 617
Blocpdb> 11 atoms in block 82
Block first atom: 626
Blocpdb> 4 atoms in block 83
Block first atom: 637
Blocpdb> 9 atoms in block 84
Block first atom: 641
Blocpdb> 7 atoms in block 85
Block first atom: 650
Blocpdb> 11 atoms in block 86
Block first atom: 657
Blocpdb> 9 atoms in block 87
Block first atom: 668
Blocpdb> 7 atoms in block 88
Block first atom: 677
Blocpdb> 8 atoms in block 89
Block first atom: 684
Blocpdb> 8 atoms in block 90
Block first atom: 692
Blocpdb> 8 atoms in block 91
Block first atom: 700
Blocpdb> 5 atoms in block 92
Block first atom: 708
Blocpdb> 6 atoms in block 93
Block first atom: 713
Blocpdb> 8 atoms in block 94
Block first atom: 719
Blocpdb> 8 atoms in block 95
Block first atom: 727
Blocpdb> 4 atoms in block 96
Block first atom: 735
Blocpdb> 11 atoms in block 97
Block first atom: 739
Blocpdb> 9 atoms in block 98
Block first atom: 750
Blocpdb> 5 atoms in block 99
Block first atom: 759
Blocpdb> 7 atoms in block 100
Block first atom: 764
Blocpdb> 7 atoms in block 101
Block first atom: 771
Blocpdb> 4 atoms in block 102
Block first atom: 778
Blocpdb> 8 atoms in block 103
Block first atom: 782
Blocpdb> 5 atoms in block 104
Block first atom: 790
Blocpdb> 9 atoms in block 105
Block first atom: 795
Blocpdb> 12 atoms in block 106
Block first atom: 804
Blocpdb> 10 atoms in block 107
Block first atom: 816
Blocpdb> 10 atoms in block 108
Block first atom: 826
Blocpdb> 11 atoms in block 109
Block first atom: 836
Blocpdb> 11 atoms in block 110
Block first atom: 847
Blocpdb> 10 atoms in block 111
Block first atom: 858
Blocpdb> 11 atoms in block 112
Block first atom: 868
Blocpdb> 8 atoms in block 113
Block first atom: 879
Blocpdb> 7 atoms in block 114
Block first atom: 887
Blocpdb> 8 atoms in block 115
Block first atom: 894
Blocpdb> 5 atoms in block 116
Block first atom: 902
Blocpdb> 11 atoms in block 117
Block first atom: 907
Blocpdb> 7 atoms in block 118
Block first atom: 918
Blocpdb> 11 atoms in block 119
Block first atom: 925
Blocpdb> 8 atoms in block 120
Block first atom: 936
Blocpdb> 7 atoms in block 121
Block first atom: 944
Blocpdb> 9 atoms in block 122
Block first atom: 951
Blocpdb> 7 atoms in block 123
Block first atom: 960
Blocpdb> 4 atoms in block 124
Block first atom: 967
Blocpdb> 4 atoms in block 125
Block first atom: 971
Blocpdb> 8 atoms in block 126
Block first atom: 975
Blocpdb> 7 atoms in block 127
Block first atom: 983
Blocpdb> 9 atoms in block 128
Block first atom: 990
Blocpdb> 8 atoms in block 129
Block first atom: 999
Blocpdb> 8 atoms in block 130
Block first atom: 1007
Blocpdb> 6 atoms in block 131
Block first atom: 1015
Blocpdb> 7 atoms in block 132
Block first atom: 1021
Blocpdb> 11 atoms in block 133
Block first atom: 1028
Blocpdb> 8 atoms in block 134
Block first atom: 1039
Blocpdb> 12 atoms in block 135
Block first atom: 1046
Blocpdb> 135 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> 370384 matrix lines read.
Prepmat> Matrix order = 3174
Prepmat> Matrix trace = 808780.0000
Prepmat> Last element read: 3174 3174 71.4076
Prepmat> 9181 lines saved.
Prepmat> 7553 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: 1058
RTB> Total mass = 1058.0000
RTB> Number of atoms found in matrix: 1058
RTB> Number of blocks = 135
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 189743.0475
RTB> 56547 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 = 810
Diagstd> Nb of non-zero elements: 56547
Diagstd> Projected matrix trace = 189743.0475
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 810 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 189743.0475
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 2.9023038 5.3558800 6.1366232 7.5954114
9.9104195 10.3503253 10.8368168 12.2184158 13.6411396
13.9206080 16.6808653 17.1720075 18.0561406 19.6021916
20.4361415 21.1250410 21.8089474 22.9356360 23.8810921
24.2655146 25.2489925 26.1494427 26.4981892 28.2460248
28.4652882 29.7378258 30.0173598 31.4627560 31.9235904
32.3322078 36.1102146 37.0307591 37.8466530 38.5842073
39.3401586 40.6132843 41.1617102 41.8933720 43.8401192
44.1321300 45.0748682 45.8846085 47.0514805 47.3663580
48.9777955 49.1577241 50.3798985 50.7264482 51.5177590
51.9766362 52.2777979 54.1500004 55.1168798 55.8870352
57.4156303 57.9034575 59.0732458 59.6321475 60.3429360
60.9409025 62.1467064 62.9952938 64.0845671 65.2903456
65.5757350 66.3226150 67.2811473 67.7907527 68.6507323
69.4697753 71.1510817 72.1441750 72.1904776 72.2894074
73.4729008 74.5636496 75.7181382 76.2034298 77.2923786
77.9657176 78.9517113 79.3863262 80.8880116 82.0096541
83.4180818 83.6887677 84.3921688 85.5627549 86.3485717
87.3043168 87.9357631 88.6178036 89.3741332 89.8860417
90.3239560 90.9718574 91.6572120 93.7167374 93.9316091
95.6435807
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034333 0.0034334 0.0034335 0.0034343
0.0034345 184.9978642 251.3105365 269.0047865 299.2753391
341.8544985 349.3592772 357.4753877 379.5794831 401.0703957
405.1579658 443.5111762 449.9930592 461.4320377 480.7813311
490.9019203 499.1074598 507.1222117 520.0566742 530.6673549
534.9214752 545.6539543 555.2984980 558.9891500 577.1303964
579.3660903 592.1747520 594.9514478 609.1070995 613.5516740
617.4658755 652.5447727 660.8099715 668.0500788 674.5281388
681.1038471 692.0370334 696.6938637 702.8585613 719.0037302
721.3943306 729.0587269 735.5781081 744.8724759 747.3607343
759.9672844 761.3619425 770.7684409 773.4148516 779.4239772
782.8875113 785.1523284 799.0878222 806.1903438 811.8033060
822.8304382 826.3186001 834.6236698 838.5626310 843.5454723
847.7147135 856.0602646 861.8850216 869.3046604 877.4447183
879.3603184 884.3539111 890.7215802 894.0884990 899.7417379
905.0930444 915.9800896 922.3503480 922.6462861 923.2782665
930.8053557 937.6890807 944.9204405 947.9436893 954.6927326
958.8421575 964.8861091 967.5382259 976.6464148 983.3944895
991.8029135 993.4107765 997.5768319 1004.4715947 1009.0736358
1014.6427101 1018.3054045 1022.2468271 1026.5998622 1029.5356940
1032.0405360 1035.7353790 1039.6295178 1051.2448006 1052.4492459
1061.9967645
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1058
Rtb_to_modes> Number of blocs = 135
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: 9.9868E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.902
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.356
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.137
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.595
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.910
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.35
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 10.84
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.22
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 13.64
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.92
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 16.68
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 17.17
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 18.06
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 19.60
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 20.44
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 21.13
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 21.81
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 22.94
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 23.88
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 24.27
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 26.15
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 26.50
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 28.47
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 30.02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 31.46
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 31.92
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 32.33
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 37.03
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 37.85
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 38.58
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 39.34
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 40.61
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 41.16
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 41.89
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 43.84
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 44.13
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 45.07
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 45.88
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 47.05
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 47.37
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 48.98
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 49.16
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 50.38
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 50.73
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 51.52
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 51.98
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 52.28
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 54.15
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 55.12
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 55.89
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 57.42
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 57.90
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 59.07
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 59.63
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 60.34
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 60.94
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 62.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 63.00
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 64.08
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 65.29
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 65.58
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 66.32
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 67.28
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 67.79
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 68.65
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 69.47
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 71.15
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 72.14
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 72.19
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 72.29
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 73.47
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 74.56
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 75.72
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 76.20
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 77.29
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 77.97
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 78.95
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 79.39
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 80.89
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 82.01
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 83.42
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 83.69
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 84.39
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 85.56
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 86.35
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 87.30
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 87.94
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 88.62
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 89.37
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 89.89
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 90.32
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 90.97
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 91.66
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 93.72
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 93.93
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 95.64
Rtb_to_modes> 106 vectors, with 810 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 1.00002 1.00000 0.99999 1.00001
1.00000 0.99998 1.00001 1.00002 1.00001
1.00003 1.00000 0.99998 1.00000 1.00000
1.00002 0.99999 0.99997 0.99999 1.00000
1.00002 1.00002 0.99999 0.99999 0.99997
0.99999 1.00002 0.99999 0.99999 0.99997
0.99996 1.00000 1.00000 0.99999 1.00001
1.00004 0.99996 0.99997 0.99999 0.99999
1.00001 0.99995 1.00001 0.99997 1.00000
1.00000 0.99997 1.00003 0.99998 1.00000
1.00003 1.00004 1.00002 0.99997 1.00001
1.00002 0.99999 1.00002 1.00001 1.00000
1.00004 0.99998 1.00001 0.99997 0.99998
1.00000 1.00002 1.00000 0.99998 0.99999
0.99999 0.99999 0.99999 0.99999 1.00003
0.99997 1.00007 0.99999 0.99999 1.00000
1.00002 0.99997 1.00000 1.00000 0.99997
1.00002 1.00001 1.00004 1.00000 1.00001
1.00001 1.00000 1.00003 1.00000 0.99998
0.99999 0.99999 1.00000 0.99999 0.99999
1.00003 0.99997 0.99997 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 19044 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 1.00002 1.00000 0.99999 1.00001
1.00000 0.99998 1.00001 1.00002 1.00001
1.00003 1.00000 0.99998 1.00000 1.00000
1.00002 0.99999 0.99997 0.99999 1.00000
1.00002 1.00002 0.99999 0.99999 0.99997
0.99999 1.00002 0.99999 0.99999 0.99997
0.99996 1.00000 1.00000 0.99999 1.00001
1.00004 0.99996 0.99997 0.99999 0.99999
1.00001 0.99995 1.00001 0.99997 1.00000
1.00000 0.99997 1.00003 0.99998 1.00000
1.00003 1.00004 1.00002 0.99997 1.00001
1.00002 0.99999 1.00002 1.00001 1.00000
1.00004 0.99998 1.00001 0.99997 0.99998
1.00000 1.00002 1.00000 0.99998 0.99999
0.99999 0.99999 0.99999 0.99999 1.00003
0.99997 1.00007 0.99999 0.99999 1.00000
1.00002 0.99997 1.00000 1.00000 0.99997
1.00002 1.00001 1.00004 1.00000 1.00001
1.00001 1.00000 1.00003 1.00000 0.99998
0.99999 0.99999 1.00000 0.99999 0.99999
1.00003 0.99997 0.99997 1.00000 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000 0.000 0.000 0.000
Vector 6:-0.000 0.000 0.000 0.000-0.000
Vector 7: 0.000 0.000 0.000 0.000-0.000-0.000
Vector 8:-0.000-0.000 0.000 0.000-0.000-0.000-0.000
Vector 9:-0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Vector 10: 0.000-0.000 0.000 0.000 0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404062203462717601.eigenfacs
Openam> file on opening on unit 10:
2404062203462717601.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404062203462717601.atom
Openam> file on opening on unit 11:
2404062203462717601.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 = 135
First residue number = 1
Last residue number = 135
Number of atoms found = 1058
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9868E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.902
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 16.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 17.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 18.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 21.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 22.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 23.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 24.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 26.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 26.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 28.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 30.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 31.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 31.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 32.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 37.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 37.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 38.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 39.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 40.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 41.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 41.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 43.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 44.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 45.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 45.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 47.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 47.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 48.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 49.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 50.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 50.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 51.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 51.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 52.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 54.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 55.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 55.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 57.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 57.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 59.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 59.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 60.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 60.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 62.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 63.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 64.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 65.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 65.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 66.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 67.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 67.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 68.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 69.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 71.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 72.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 72.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 72.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 73.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 74.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 75.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 76.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 77.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 77.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 78.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 79.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 80.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 82.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 83.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 83.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 84.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 85.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 86.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 87.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 87.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 88.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 89.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 89.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 90.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 90.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 91.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 93.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 93.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 95.64
Bfactors> 106 vectors, 3174 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 : 2.902000
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= 0.495 for 135 C-alpha atoms.
Bfactors> = 0.038 +/- 0.10
Bfactors> = 44.439 +/- 11.22
Bfactors> Shiftng-fct= 44.402
Bfactors> Scaling-fct= 114.260
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404062203462717601 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=0
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=100
2404062203462717601.eigenfacs
2404062203462717601.atom
making animated gifs
11 models are in 2404062203462717601.7.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 2404062203462717601.7.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 2404062203462717601.7.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 2404062203462717601 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=0
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=100
2404062203462717601.eigenfacs
2404062203462717601.atom
making animated gifs
11 models are in 2404062203462717601.8.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 2404062203462717601.8.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 2404062203462717601.8.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 2404062203462717601 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=0
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=100
2404062203462717601.eigenfacs
2404062203462717601.atom
making animated gifs
11 models are in 2404062203462717601.9.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 2404062203462717601.9.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 2404062203462717601.9.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 2404062203462717601 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=0
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=100
2404062203462717601.eigenfacs
2404062203462717601.atom
making animated gifs
11 models are in 2404062203462717601.10.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 2404062203462717601.10.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 2404062203462717601.10.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 2404062203462717601 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=-20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=0
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=20
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=40
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=60
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=80
2404062203462717601.eigenfacs
2404062203462717601.atom
calculating perturbed structure for DQ=100
2404062203462717601.eigenfacs
2404062203462717601.atom
making animated gifs
11 models are in 2404062203462717601.11.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 2404062203462717601.11.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 2404062203462717601.11.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
2404062203462717601.10.pdb
2404062203462717601.11.pdb
2404062203462717601.7.pdb
2404062203462717601.8.pdb
2404062203462717601.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.843s
user 0m7.827s
sys 0m0.016s
../../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: 2404062203462717601.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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