*** 3rzy ***
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 = 2402131149492621828.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 2402131149492621828.atom to be opened.
Openam> File opened: 2402131149492621828.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 = 139
First residue number = -7
Last residue number = 131
Number of atoms found = 1161
Mean number per residue = 8.4
Pdbmat> Coordinate statistics:
= 8.076715 +/- 6.647647 From: -7.956000 To: 22.980000
= 10.200531 +/- 8.414999 From: -7.430000 To: 31.391000
= 14.328420 +/- 10.080484 From: -13.300000 To: 34.150000
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 7.0766 % Filled.
Pdbmat> 429365 non-zero elements.
Pdbmat> 46941 atom-atom interactions.
Pdbmat> Number per atom= 80.86 +/- 25.18
Maximum number = 134
Minimum number = 9
Pdbmat> Matrix trace = 938820.
Pdbmat> Larger element = 519.109
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
139 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 = 2402131149492621828.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 2402131149492621828.atom to be opened.
Openam> file on opening on unit 11:
2402131149492621828.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1161 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> 139 residues.
Blocpdb> 5 atoms in block 1
Block first atom: 1
Blocpdb> 5 atoms in block 2
Block first atom: 6
Blocpdb> 8 atoms in block 3
Block first atom: 11
Blocpdb> 4 atoms in block 4
Block first atom: 19
Blocpdb> 11 atoms in block 5
Block first atom: 23
Blocpdb> 4 atoms in block 6
Block first atom: 34
Blocpdb> 6 atoms in block 7
Block first atom: 38
Blocpdb> 8 atoms in block 8
Block first atom: 44
Blocpdb> 6 atoms in block 9
Block first atom: 52
Blocpdb> 8 atoms in block 10
Block first atom: 58
Blocpdb> 5 atoms in block 11
Block first atom: 66
Blocpdb> 11 atoms in block 12
Block first atom: 71
Blocpdb> 7 atoms in block 13
Block first atom: 82
Blocpdb> 4 atoms in block 14
Block first atom: 89
Blocpdb> 7 atoms in block 15
Block first atom: 93
Blocpdb> 14 atoms in block 16
Block first atom: 100
Blocpdb> 9 atoms in block 17
Block first atom: 114
Blocpdb> 8 atoms in block 18
Block first atom: 123
Blocpdb> 7 atoms in block 19
Block first atom: 131
Blocpdb> 6 atoms in block 20
Block first atom: 138
Blocpdb> 6 atoms in block 21
Block first atom: 144
Blocpdb> 9 atoms in block 22
Block first atom: 150
Blocpdb> 16 atoms in block 23
Block first atom: 159
Blocpdb> 11 atoms in block 24
Block first atom: 175
Blocpdb> 8 atoms in block 25
Block first atom: 186
Blocpdb> 8 atoms in block 26
Block first atom: 194
Blocpdb> 12 atoms in block 27
Block first atom: 202
Blocpdb> 8 atoms in block 28
Block first atom: 214
Blocpdb> 9 atoms in block 29
Block first atom: 222
Blocpdb> 9 atoms in block 30
Block first atom: 231
Blocpdb> 7 atoms in block 31
Block first atom: 240
Blocpdb> 4 atoms in block 32
Block first atom: 247
Blocpdb> 7 atoms in block 33
Block first atom: 251
Blocpdb> 4 atoms in block 34
Block first atom: 258
Blocpdb> 11 atoms in block 35
Block first atom: 262
Blocpdb> 5 atoms in block 36
Block first atom: 273
Blocpdb> 7 atoms in block 37
Block first atom: 278
Blocpdb> 11 atoms in block 38
Block first atom: 285
Blocpdb> 9 atoms in block 39
Block first atom: 296
Blocpdb> 7 atoms in block 40
Block first atom: 305
Blocpdb> 5 atoms in block 41
Block first atom: 312
Blocpdb> 4 atoms in block 42
Block first atom: 317
Blocpdb> 8 atoms in block 43
Block first atom: 321
Blocpdb> 5 atoms in block 44
Block first atom: 329
Blocpdb> 9 atoms in block 45
Block first atom: 334
Blocpdb> 7 atoms in block 46
Block first atom: 343
Blocpdb> 8 atoms in block 47
Block first atom: 350
Blocpdb> 8 atoms in block 48
Block first atom: 358
Blocpdb> 8 atoms in block 49
Block first atom: 366
Blocpdb> 8 atoms in block 50
Block first atom: 374
Blocpdb> 6 atoms in block 51
Block first atom: 382
Blocpdb> 7 atoms in block 52
Block first atom: 388
Blocpdb> 8 atoms in block 53
Block first atom: 395
Blocpdb> 4 atoms in block 54
Block first atom: 403
Blocpdb> 8 atoms in block 55
Block first atom: 407
Blocpdb> 7 atoms in block 56
Block first atom: 415
Blocpdb> 8 atoms in block 57
Block first atom: 422
Blocpdb> 7 atoms in block 58
Block first atom: 430
Blocpdb> 8 atoms in block 59
Block first atom: 437
Blocpdb> 9 atoms in block 60
Block first atom: 445
Blocpdb> 6 atoms in block 61
Block first atom: 454
Blocpdb> 9 atoms in block 62
Block first atom: 460
Blocpdb> 6 atoms in block 63
Block first atom: 469
Blocpdb> 7 atoms in block 64
Block first atom: 475
Blocpdb> 11 atoms in block 65
Block first atom: 482
Blocpdb> 18 atoms in block 66
Block first atom: 493
Blocpdb> 8 atoms in block 67
Block first atom: 511
Blocpdb> 7 atoms in block 68
Block first atom: 519
Blocpdb> 9 atoms in block 69
Block first atom: 526
Blocpdb> 8 atoms in block 70
Block first atom: 535
Blocpdb> 6 atoms in block 71
Block first atom: 543
Blocpdb> 11 atoms in block 72
Block first atom: 549
Blocpdb> 8 atoms in block 73
Block first atom: 560
Blocpdb> 8 atoms in block 74
Block first atom: 568
Blocpdb> 4 atoms in block 75
Block first atom: 576
Blocpdb> 9 atoms in block 76
Block first atom: 580
Blocpdb> 18 atoms in block 77
Block first atom: 589
Blocpdb> 11 atoms in block 78
Block first atom: 607
Blocpdb> 8 atoms in block 79
Block first atom: 618
Blocpdb> 9 atoms in block 80
Block first atom: 626
Blocpdb> 7 atoms in block 81
Block first atom: 635
Blocpdb> 7 atoms in block 82
Block first atom: 642
Blocpdb> 5 atoms in block 83
Block first atom: 649
Blocpdb> 8 atoms in block 84
Block first atom: 654
Blocpdb> 8 atoms in block 85
Block first atom: 662
Blocpdb> 11 atoms in block 86
Block first atom: 670
Blocpdb> 9 atoms in block 87
Block first atom: 681
Blocpdb> 7 atoms in block 88
Block first atom: 690
Blocpdb> 9 atoms in block 89
Block first atom: 697
Blocpdb> 6 atoms in block 90
Block first atom: 706
Blocpdb> 7 atoms in block 91
Block first atom: 712
Blocpdb> 8 atoms in block 92
Block first atom: 719
Blocpdb> 7 atoms in block 93
Block first atom: 727
Blocpdb> 16 atoms in block 94
Block first atom: 734
Blocpdb> 16 atoms in block 95
Block first atom: 750
Blocpdb> 8 atoms in block 96
Block first atom: 766
Blocpdb> 8 atoms in block 97
Block first atom: 774
Blocpdb> 7 atoms in block 98
Block first atom: 782
Blocpdb> 16 atoms in block 99
Block first atom: 789
Blocpdb> 7 atoms in block 100
Block first atom: 805
Blocpdb> 10 atoms in block 101
Block first atom: 812
Blocpdb> 7 atoms in block 102
Block first atom: 822
Blocpdb> 9 atoms in block 103
Block first atom: 829
Blocpdb> 9 atoms in block 104
Block first atom: 838
Blocpdb> 14 atoms in block 105
Block first atom: 847
Blocpdb> 8 atoms in block 106
Block first atom: 861
Blocpdb> 4 atoms in block 107
Block first atom: 869
Blocpdb> 9 atoms in block 108
Block first atom: 873
Blocpdb> 6 atoms in block 109
Block first atom: 882
Blocpdb> 7 atoms in block 110
Block first atom: 888
Blocpdb> 7 atoms in block 111
Block first atom: 895
Blocpdb> 8 atoms in block 112
Block first atom: 902
Blocpdb> 9 atoms in block 113
Block first atom: 910
Blocpdb> 11 atoms in block 114
Block first atom: 919
Blocpdb> 9 atoms in block 115
Block first atom: 930
Blocpdb> 11 atoms in block 116
Block first atom: 939
Blocpdb> 9 atoms in block 117
Block first atom: 950
Blocpdb> 8 atoms in block 118
Block first atom: 959
Blocpdb> 8 atoms in block 119
Block first atom: 967
Blocpdb> 9 atoms in block 120
Block first atom: 975
Blocpdb> 16 atoms in block 121
Block first atom: 984
Blocpdb> 7 atoms in block 122
Block first atom: 1000
Blocpdb> 7 atoms in block 123
Block first atom: 1007
Blocpdb> 18 atoms in block 124
Block first atom: 1014
Blocpdb> 6 atoms in block 125
Block first atom: 1032
Blocpdb> 7 atoms in block 126
Block first atom: 1038
Blocpdb> 8 atoms in block 127
Block first atom: 1045
Blocpdb> 18 atoms in block 128
Block first atom: 1053
Blocpdb> 8 atoms in block 129
Block first atom: 1071
Blocpdb> 7 atoms in block 130
Block first atom: 1079
Blocpdb> 7 atoms in block 131
Block first atom: 1086
Blocpdb> 6 atoms in block 132
Block first atom: 1093
Blocpdb> 7 atoms in block 133
Block first atom: 1099
Blocpdb> 11 atoms in block 134
Block first atom: 1106
Blocpdb> 7 atoms in block 135
Block first atom: 1117
Blocpdb> 12 atoms in block 136
Block first atom: 1124
Blocpdb> 9 atoms in block 137
Block first atom: 1136
Blocpdb> 11 atoms in block 138
Block first atom: 1145
Blocpdb> 6 atoms in block 139
Block first atom: 1155
Blocpdb> 139 blocks.
Blocpdb> At most, 18 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> 429504 matrix lines read.
Prepmat> Matrix order = 3483
Prepmat> Matrix trace = 938820.0000
Prepmat> Last element read: 3483 3483 105.3569
Prepmat> 9731 lines saved.
Prepmat> 8145 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: 1161
RTB> Total mass = 1161.0000
RTB> Number of atoms found in matrix: 1161
RTB> Number of blocks = 139
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 201143.2692
RTB> 54975 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 = 834
Diagstd> Nb of non-zero elements: 54975
Diagstd> Projected matrix trace = 201143.2692
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 834 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 201143.2692
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 0.0687137 0.2089270 0.2999322 1.0186146
1.2769289 2.3468800 3.4017518 5.8289599 7.2697211
8.5758542 10.3534840 12.1888771 12.3769698 13.3517529
13.7937319 14.5232021 15.4612790 16.1347776 17.1312667
17.4985664 17.7463335 18.9208157 19.2175991 20.6598628
21.2765928 21.9139695 22.3415155 22.9452343 24.5195898
25.4333716 26.1637192 26.5396893 27.8328775 29.5384730
30.7455038 30.9483062 31.7191466 32.4120127 33.2638311
33.9704872 34.7140603 35.0497703 36.0515391 36.7628291
37.3453459 38.5268881 39.6758953 39.9794782 40.7322386
40.8275743 41.8470767 42.4889039 42.6209168 43.9517104
45.5744618 46.3279235 47.4989988 48.3949205 49.5318941
51.3537341 52.1475468 52.6398700 53.3015179 54.2592172
54.6606133 56.1171735 57.1234113 57.7257355 58.0960253
59.4055561 59.5808314 60.7411601 60.9635600 61.6815004
62.9730335 63.1045945 64.1533826 64.8857873 65.2331271
66.0641556 66.6252145 68.2487058 69.5912944 70.5870694
72.0142010 72.4309514 73.0225879 73.9072950 74.5498170
75.1824588 76.7409385 77.5487674 77.8459168 79.3871757
80.4301183 81.4507541 82.2016107 83.2942475 83.5551781
84.4486514
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034334 0.0034338 0.0034341 0.0034342 0.0034343
0.0034345 28.4653787 49.6355148 59.4712151 109.5973921
122.7096277 166.3568641 200.2841541 262.1747206 292.7885940
318.0050200 349.4125818 379.1203792 382.0343779 396.7933846
403.3073819 413.8342874 426.9902797 436.1910720 449.4589356
454.2516514 457.4562854 472.3514012 476.0415324 493.5816397
500.8945668 508.3417822 513.2767527 520.1654809 537.7146640
547.6426317 555.4500627 559.4267097 572.8940802 590.1865397
602.1242070 604.1067975 611.5838762 618.2274450 626.2985608
632.9161361 639.8055268 642.8917731 652.0143970 658.4150399
663.6109195 674.0269258 684.0040105 686.6158764 693.0497636
693.8603472 702.4700990 707.8366473 708.9354176 719.9182290
733.0879059 739.1229677 748.4064266 755.4316403 764.2540488
778.1822028 784.1736076 787.8665903 792.8026052 799.8932687
802.8465224 813.4730591 820.7338537 825.0495234 827.6914911
836.9679212 838.2017431 846.3243210 847.8722869 852.8501792
861.7327281 862.6324086 869.7712743 874.7220404 877.0601508
882.6290648 886.3690650 897.1033746 905.8843099 912.3423944
921.5191263 924.1817220 927.9485349 933.5529034 937.6020993
941.5720165 951.2810235 956.2748412 958.1052043 967.5434027
973.8781765 980.0378188 984.5447119 991.0664736 992.6175850
997.9106087
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1161
Rtb_to_modes> Number of blocs = 139
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: 9.9970E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
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: 6.8714E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2089
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2999
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.019
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.277
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.347
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.402
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.829
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.270
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.576
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.35
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.19
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 12.38
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.35
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.52
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.46
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.13
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 17.13
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.50
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.75
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 19.22
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 21.28
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 21.91
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 22.34
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 22.95
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.52
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.43
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 26.16
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 26.54
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 29.54
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 30.95
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.72
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 32.41
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 33.26
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 33.97
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 34.71
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 35.05
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 36.05
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 36.76
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 37.35
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 38.53
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 39.68
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 39.98
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 40.73
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 40.83
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 41.85
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 42.49
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 43.95
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 45.57
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 46.33
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 47.50
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 48.39
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 49.53
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 51.35
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 52.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 52.64
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 53.30
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 54.26
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 54.66
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 56.12
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 57.12
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 57.73
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 58.10
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 59.41
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 59.58
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 60.74
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 60.96
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 61.68
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 62.97
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 63.10
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.15
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 64.89
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 65.23
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 66.06
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 66.63
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 68.25
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 69.59
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 70.59
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 72.01
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 72.43
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 73.02
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 73.91
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 74.55
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 75.18
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 76.74
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 77.55
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 77.85
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 79.39
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 80.43
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 81.45
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 82.20
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 83.29
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 83.56
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 84.45
Rtb_to_modes> 106 vectors, with 834 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 0.99999 1.00000 1.00001
1.00001 0.99997 1.00000 1.00001 0.99998
0.99997 1.00003 1.00001 1.00001 0.99998
0.99999 0.99998 1.00000 0.99994 0.99999
1.00001 1.00002 0.99999 0.99999 0.99998
1.00001 0.99999 0.99997 1.00001 1.00001
0.99997 1.00001 1.00000 1.00000 0.99996
1.00001 1.00000 1.00000 0.99996 0.99999
1.00004 0.99995 1.00001 1.00000 1.00002
0.99998 1.00001 0.99997 1.00001 1.00003
1.00001 1.00003 1.00001 1.00001 0.99997
0.99997 0.99999 0.99999 1.00000 0.99999
1.00000 0.99999 1.00001 1.00001 0.99999
1.00000 0.99996 0.99998 1.00000 1.00000
1.00003 0.99998 1.00000 1.00002 1.00000
1.00000 0.99999 1.00000 1.00000 1.00002
1.00000 0.99999 0.99998 1.00001 1.00003
1.00000 1.00000 0.99999 0.99999 0.99999
0.99998 1.00000 1.00000 1.00001 1.00001
1.00003 0.99998 0.99996 0.99998 0.99999
0.99999 0.99999 1.00001 0.99997 1.00003
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 20898 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 0.99999 1.00000 1.00001
1.00001 0.99997 1.00000 1.00001 0.99998
0.99997 1.00003 1.00001 1.00001 0.99998
0.99999 0.99998 1.00000 0.99994 0.99999
1.00001 1.00002 0.99999 0.99999 0.99998
1.00001 0.99999 0.99997 1.00001 1.00001
0.99997 1.00001 1.00000 1.00000 0.99996
1.00001 1.00000 1.00000 0.99996 0.99999
1.00004 0.99995 1.00001 1.00000 1.00002
0.99998 1.00001 0.99997 1.00001 1.00003
1.00001 1.00003 1.00001 1.00001 0.99997
0.99997 0.99999 0.99999 1.00000 0.99999
1.00000 0.99999 1.00001 1.00001 0.99999
1.00000 0.99996 0.99998 1.00000 1.00000
1.00003 0.99998 1.00000 1.00002 1.00000
1.00000 0.99999 1.00000 1.00000 1.00002
1.00000 0.99999 0.99998 1.00001 1.00003
1.00000 1.00000 0.99999 0.99999 0.99999
0.99998 1.00000 1.00000 1.00001 1.00001
1.00003 0.99998 0.99996 0.99998 0.99999
0.99999 0.99999 1.00001 0.99997 1.00003
0.99998
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> 2402131149492621828.eigenfacs
Openam> file on opening on unit 10:
2402131149492621828.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402131149492621828.atom
Openam> file on opening on unit 11:
2402131149492621828.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 = 139
First residue number = -7
Last residue number = 131
Number of atoms found = 1161
Mean number per residue = 8.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8714E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 21.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 22.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 22.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 26.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 26.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 29.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 30.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 32.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 33.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 33.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 34.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 35.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 36.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 36.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 37.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 38.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 39.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 39.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 40.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 40.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 41.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 42.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 43.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 45.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 46.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 47.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 48.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 49.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 51.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 52.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 52.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 53.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 54.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 54.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 57.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 57.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 58.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 59.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 59.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 60.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 60.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 61.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 62.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 63.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 64.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 65.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 66.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 66.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 68.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 69.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 70.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 72.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 72.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 73.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 73.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 74.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 75.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 76.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 77.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 77.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 79.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 80.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 81.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 82.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 83.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 83.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 84.45
Bfactors> 106 vectors, 3483 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 : 0.068714
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= 0.554 for 151 C-alpha atoms.
Bfactors> = 0.440 +/- 3.14
Bfactors> = 15.128 +/- 6.16
Bfactors> Shiftng-fct= 14.688
Bfactors> Scaling-fct= 1.964
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402131149492621828 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=0
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=100
2402131149492621828.eigenfacs
2402131149492621828.atom
making animated gifs
11 models are in 2402131149492621828.7.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 2402131149492621828.7.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 2402131149492621828.7.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 2402131149492621828 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=0
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=100
2402131149492621828.eigenfacs
2402131149492621828.atom
making animated gifs
11 models are in 2402131149492621828.8.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 2402131149492621828.8.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 2402131149492621828.8.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 2402131149492621828 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=0
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=100
2402131149492621828.eigenfacs
2402131149492621828.atom
making animated gifs
11 models are in 2402131149492621828.9.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 2402131149492621828.9.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 2402131149492621828.9.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 2402131149492621828 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=0
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=100
2402131149492621828.eigenfacs
2402131149492621828.atom
making animated gifs
11 models are in 2402131149492621828.10.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 2402131149492621828.10.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 2402131149492621828.10.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 2402131149492621828 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=-20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=0
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=20
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=40
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=60
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=80
2402131149492621828.eigenfacs
2402131149492621828.atom
calculating perturbed structure for DQ=100
2402131149492621828.eigenfacs
2402131149492621828.atom
making animated gifs
11 models are in 2402131149492621828.11.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 2402131149492621828.11.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 2402131149492621828.11.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
2402131149492621828.10.pdb
2402131149492621828.11.pdb
2402131149492621828.7.pdb
2402131149492621828.8.pdb
2402131149492621828.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.611s
user 0m8.591s
sys 0m0.020s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402131149492621828.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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