*** NIST IgG ***
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 = 2402021700581295923.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 2402021700581295923.atom to be opened.
Openam> File opened: 2402021700581295923.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 = 1324
First residue number = 1
Last residue number = 450
Number of atoms found = 20224
Mean number per residue = 15.3
Pdbmat> Coordinate statistics:
= -2.964892 +/- 21.897573 From: -54.153000 To: 43.979000
= 36.587858 +/- 33.225936 From: -24.168000 To: 111.805000
= 15.335675 +/- 39.124223 From: -64.325000 To: 99.172000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is -4.6938 % Filled.
Pdbmat> 14405734 non-zero elements.
Pdbmat> 1587425 atom-atom interactions.
Pdbmat> Number per atom= 156.98 +/- 49.05
Maximum number = 248
Minimum number = 19
Pdbmat> Matrix trace = 3.174850E+07
Pdbmat> Larger element = 886.333
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1324 non-zero elements, NRBL set to 7
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 = 2402021700581295923.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2402021700581295923.atom to be opened.
Openam> file on opening on unit 11:
2402021700581295923.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 20224 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1324 residues.
Blocpdb> 109 atoms in block 1
Block first atom: 1
Blocpdb> 90 atoms in block 2
Block first atom: 110
Blocpdb> 108 atoms in block 3
Block first atom: 200
Blocpdb> 91 atoms in block 4
Block first atom: 308
Blocpdb> 123 atoms in block 5
Block first atom: 399
Blocpdb> 109 atoms in block 6
Block first atom: 522
Blocpdb> 126 atoms in block 7
Block first atom: 631
Blocpdb> 94 atoms in block 8
Block first atom: 757
Blocpdb> 103 atoms in block 9
Block first atom: 851
Blocpdb> 85 atoms in block 10
Block first atom: 954
Blocpdb> 107 atoms in block 11
Block first atom: 1039
Blocpdb> 99 atoms in block 12
Block first atom: 1146
Blocpdb> 107 atoms in block 13
Block first atom: 1245
Blocpdb> 103 atoms in block 14
Block first atom: 1352
Blocpdb> 100 atoms in block 15
Block first atom: 1455
Blocpdb> 110 atoms in block 16
Block first atom: 1555
Blocpdb> 114 atoms in block 17
Block first atom: 1665
Blocpdb> 107 atoms in block 18
Block first atom: 1779
Blocpdb> 84 atoms in block 19
Block first atom: 1886
Blocpdb> 121 atoms in block 20
Block first atom: 1970
Blocpdb> 128 atoms in block 21
Block first atom: 2091
Blocpdb> 110 atoms in block 22
Block first atom: 2219
Blocpdb> 86 atoms in block 23
Block first atom: 2329
Blocpdb> 107 atoms in block 24
Block first atom: 2415
Blocpdb> 99 atoms in block 25
Block first atom: 2522
Blocpdb> 110 atoms in block 26
Block first atom: 2621
Blocpdb> 119 atoms in block 27
Block first atom: 2731
Blocpdb> 102 atoms in block 28
Block first atom: 2850
Blocpdb> 96 atoms in block 29
Block first atom: 2952
Blocpdb> 121 atoms in block 30
Block first atom: 3048
Blocpdb> 33 atoms in block 31
Block first atom: 3169
Blocpdb> 109 atoms in block 32
Block first atom: 3202
Blocpdb> 90 atoms in block 33
Block first atom: 3311
Blocpdb> 108 atoms in block 34
Block first atom: 3401
Blocpdb> 91 atoms in block 35
Block first atom: 3509
Blocpdb> 123 atoms in block 36
Block first atom: 3600
Blocpdb> 109 atoms in block 37
Block first atom: 3723
Blocpdb> 126 atoms in block 38
Block first atom: 3832
Blocpdb> 94 atoms in block 39
Block first atom: 3958
Blocpdb> 103 atoms in block 40
Block first atom: 4052
Blocpdb> 85 atoms in block 41
Block first atom: 4155
Blocpdb> 107 atoms in block 42
Block first atom: 4240
Blocpdb> 99 atoms in block 43
Block first atom: 4347
Blocpdb> 107 atoms in block 44
Block first atom: 4446
Blocpdb> 103 atoms in block 45
Block first atom: 4553
Blocpdb> 100 atoms in block 46
Block first atom: 4656
Blocpdb> 110 atoms in block 47
Block first atom: 4756
Blocpdb> 114 atoms in block 48
Block first atom: 4866
Blocpdb> 107 atoms in block 49
Block first atom: 4980
Blocpdb> 84 atoms in block 50
Block first atom: 5087
Blocpdb> 121 atoms in block 51
Block first atom: 5171
Blocpdb> 128 atoms in block 52
Block first atom: 5292
Blocpdb> 110 atoms in block 53
Block first atom: 5420
Blocpdb> 86 atoms in block 54
Block first atom: 5530
Blocpdb> 107 atoms in block 55
Block first atom: 5616
Blocpdb> 99 atoms in block 56
Block first atom: 5723
Blocpdb> 110 atoms in block 57
Block first atom: 5822
Blocpdb> 119 atoms in block 58
Block first atom: 5932
Blocpdb> 102 atoms in block 59
Block first atom: 6051
Blocpdb> 96 atoms in block 60
Block first atom: 6153
Blocpdb> 121 atoms in block 61
Block first atom: 6249
Blocpdb> 33 atoms in block 62
Block first atom: 6370
Blocpdb> 106 atoms in block 63
Block first atom: 6403
Blocpdb> 109 atoms in block 64
Block first atom: 6509
Blocpdb> 107 atoms in block 65
Block first atom: 6618
Blocpdb> 102 atoms in block 66
Block first atom: 6725
Blocpdb> 86 atoms in block 67
Block first atom: 6827
Blocpdb> 119 atoms in block 68
Block first atom: 6913
Blocpdb> 116 atoms in block 69
Block first atom: 7032
Blocpdb> 113 atoms in block 70
Block first atom: 7148
Blocpdb> 121 atoms in block 71
Block first atom: 7261
Blocpdb> 129 atoms in block 72
Block first atom: 7382
Blocpdb> 106 atoms in block 73
Block first atom: 7511
Blocpdb> 120 atoms in block 74
Block first atom: 7617
Blocpdb> 93 atoms in block 75
Block first atom: 7737
Blocpdb> 110 atoms in block 76
Block first atom: 7830
Blocpdb> 123 atoms in block 77
Block first atom: 7940
Blocpdb> 103 atoms in block 78
Block first atom: 8063
Blocpdb> 96 atoms in block 79
Block first atom: 8166
Blocpdb> 89 atoms in block 80
Block first atom: 8262
Blocpdb> 104 atoms in block 81
Block first atom: 8351
Blocpdb> 83 atoms in block 82
Block first atom: 8455
Blocpdb> 89 atoms in block 83
Block first atom: 8538
Blocpdb> 120 atoms in block 84
Block first atom: 8627
Blocpdb> 109 atoms in block 85
Block first atom: 8747
Blocpdb> 79 atoms in block 86
Block first atom: 8856
Blocpdb> 107 atoms in block 87
Block first atom: 8935
Blocpdb> 105 atoms in block 88
Block first atom: 9042
Blocpdb> 98 atoms in block 89
Block first atom: 9147
Blocpdb> 89 atoms in block 90
Block first atom: 9245
Blocpdb> 109 atoms in block 91
Block first atom: 9334
Blocpdb> 108 atoms in block 92
Block first atom: 9443
Blocpdb> 126 atoms in block 93
Block first atom: 9551
Blocpdb> 106 atoms in block 94
Block first atom: 9677
Blocpdb> 93 atoms in block 95
Block first atom: 9783
Blocpdb> 98 atoms in block 96
Block first atom: 9876
Blocpdb> 107 atoms in block 97
Block first atom: 9974
Blocpdb> 112 atoms in block 98
Block first atom: 10081
Blocpdb> 118 atoms in block 99
Block first atom: 10193
Blocpdb> 103 atoms in block 100
Block first atom: 10311
Blocpdb> 97 atoms in block 101
Block first atom: 10414
Blocpdb> 132 atoms in block 102
Block first atom: 10511
Blocpdb> 99 atoms in block 103
Block first atom: 10643
Blocpdb> 120 atoms in block 104
Block first atom: 10742
Blocpdb> 106 atoms in block 105
Block first atom: 10862
Blocpdb> 123 atoms in block 106
Block first atom: 10968
Blocpdb> 119 atoms in block 107
Block first atom: 11091
Blocpdb> 120 atoms in block 108
Block first atom: 11210
Blocpdb> 105 atoms in block 109
Block first atom: 11330
Blocpdb> 113 atoms in block 110
Block first atom: 11435
Blocpdb> 105 atoms in block 111
Block first atom: 11548
Blocpdb> 117 atoms in block 112
Block first atom: 11653
Blocpdb> 117 atoms in block 113
Block first atom: 11770
Blocpdb> 114 atoms in block 114
Block first atom: 11887
Blocpdb> 105 atoms in block 115
Block first atom: 12001
Blocpdb> 107 atoms in block 116
Block first atom: 12106
Blocpdb> 110 atoms in block 117
Block first atom: 12213
Blocpdb> 95 atoms in block 118
Block first atom: 12323
Blocpdb> 115 atoms in block 119
Block first atom: 12418
Blocpdb> 92 atoms in block 120
Block first atom: 12533
Blocpdb> 126 atoms in block 121
Block first atom: 12625
Blocpdb> 126 atoms in block 122
Block first atom: 12751
Blocpdb> 95 atoms in block 123
Block first atom: 12877
Blocpdb> 105 atoms in block 124
Block first atom: 12972
Blocpdb> 122 atoms in block 125
Block first atom: 13077
Blocpdb> 92 atoms in block 126
Block first atom: 13199
Blocpdb> 23 atoms in block 127
Block first atom: 13291
Blocpdb> 106 atoms in block 128
Block first atom: 13314
Blocpdb> 109 atoms in block 129
Block first atom: 13420
Blocpdb> 107 atoms in block 130
Block first atom: 13529
Blocpdb> 102 atoms in block 131
Block first atom: 13636
Blocpdb> 86 atoms in block 132
Block first atom: 13738
Blocpdb> 119 atoms in block 133
Block first atom: 13824
Blocpdb> 116 atoms in block 134
Block first atom: 13943
Blocpdb> 113 atoms in block 135
Block first atom: 14059
Blocpdb> 121 atoms in block 136
Block first atom: 14172
Blocpdb> 129 atoms in block 137
Block first atom: 14293
Blocpdb> 106 atoms in block 138
Block first atom: 14422
Blocpdb> 120 atoms in block 139
Block first atom: 14528
Blocpdb> 93 atoms in block 140
Block first atom: 14648
Blocpdb> 110 atoms in block 141
Block first atom: 14741
Blocpdb> 123 atoms in block 142
Block first atom: 14851
Blocpdb> 103 atoms in block 143
Block first atom: 14974
Blocpdb> 96 atoms in block 144
Block first atom: 15077
Blocpdb> 89 atoms in block 145
Block first atom: 15173
Blocpdb> 104 atoms in block 146
Block first atom: 15262
Blocpdb> 83 atoms in block 147
Block first atom: 15366
Blocpdb> 89 atoms in block 148
Block first atom: 15449
Blocpdb> 120 atoms in block 149
Block first atom: 15538
Blocpdb> 109 atoms in block 150
Block first atom: 15658
Blocpdb> 79 atoms in block 151
Block first atom: 15767
Blocpdb> 107 atoms in block 152
Block first atom: 15846
Blocpdb> 105 atoms in block 153
Block first atom: 15953
Blocpdb> 98 atoms in block 154
Block first atom: 16058
Blocpdb> 89 atoms in block 155
Block first atom: 16156
Blocpdb> 109 atoms in block 156
Block first atom: 16245
Blocpdb> 108 atoms in block 157
Block first atom: 16354
Blocpdb> 126 atoms in block 158
Block first atom: 16462
Blocpdb> 106 atoms in block 159
Block first atom: 16588
Blocpdb> 93 atoms in block 160
Block first atom: 16694
Blocpdb> 98 atoms in block 161
Block first atom: 16787
Blocpdb> 107 atoms in block 162
Block first atom: 16885
Blocpdb> 112 atoms in block 163
Block first atom: 16992
Blocpdb> 118 atoms in block 164
Block first atom: 17104
Blocpdb> 103 atoms in block 165
Block first atom: 17222
Blocpdb> 97 atoms in block 166
Block first atom: 17325
Blocpdb> 132 atoms in block 167
Block first atom: 17422
Blocpdb> 99 atoms in block 168
Block first atom: 17554
Blocpdb> 120 atoms in block 169
Block first atom: 17653
Blocpdb> 106 atoms in block 170
Block first atom: 17773
Blocpdb> 123 atoms in block 171
Block first atom: 17879
Blocpdb> 119 atoms in block 172
Block first atom: 18002
Blocpdb> 120 atoms in block 173
Block first atom: 18121
Blocpdb> 105 atoms in block 174
Block first atom: 18241
Blocpdb> 113 atoms in block 175
Block first atom: 18346
Blocpdb> 105 atoms in block 176
Block first atom: 18459
Blocpdb> 117 atoms in block 177
Block first atom: 18564
Blocpdb> 117 atoms in block 178
Block first atom: 18681
Blocpdb> 114 atoms in block 179
Block first atom: 18798
Blocpdb> 105 atoms in block 180
Block first atom: 18912
Blocpdb> 107 atoms in block 181
Block first atom: 19017
Blocpdb> 110 atoms in block 182
Block first atom: 19124
Blocpdb> 95 atoms in block 183
Block first atom: 19234
Blocpdb> 115 atoms in block 184
Block first atom: 19329
Blocpdb> 92 atoms in block 185
Block first atom: 19444
Blocpdb> 126 atoms in block 186
Block first atom: 19536
Blocpdb> 126 atoms in block 187
Block first atom: 19662
Blocpdb> 95 atoms in block 188
Block first atom: 19788
Blocpdb> 105 atoms in block 189
Block first atom: 19883
Blocpdb> 122 atoms in block 190
Block first atom: 19988
Blocpdb> 92 atoms in block 191
Block first atom: 20110
Blocpdb> 23 atoms in block 192
Block first atom: 20201
Blocpdb> 192 blocks.
Blocpdb> At most, 132 atoms in each of them.
Blocpdb> At least, 23 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> 14405926 matrix lines read.
Prepmat> Matrix order = 60672
Prepmat> Matrix trace = 31748500.0001
Prepmat> Last element read: 60672 60672 106.3870
Prepmat> 18529 lines saved.
Prepmat> 16909 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: 20224
RTB> Total mass = 20224.0000
RTB> Number of atoms found in matrix: 20224
RTB> Number of blocks = 192
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 403037.8008
RTB> 55404 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 = 1152
Diagstd> Nb of non-zero elements: 55404
Diagstd> Projected matrix trace = 403037.8008
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1152 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 403037.8008
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 0.0003110 0.0010973 0.0014510 0.0018373
0.0027744 0.0042165 0.0251392 0.0838109 0.1378170
0.1893477 0.2844764 0.4369582 0.9625081 1.3480272
1.7948534 2.2456293 2.5029309 2.9438955 3.8494376
4.1263908 4.2354802 5.2740432 6.2161956 8.0136354
8.7993281 8.8992310 9.6846759 9.9795119 10.4455266
11.0548149 11.4057961 11.6318224 12.2988459 13.4824938
14.3078598 15.7269092 15.7547869 16.2530802 17.8364372
18.7710294 19.0832855 19.1838788 20.4490257 20.8122677
20.9052076 21.2969100 22.8037802 23.1165992 25.8372111
26.8027030 28.5323152 29.0797995 29.3415160 30.3702431
31.5608551 32.9570649 33.1179147 33.4762105 34.0770680
34.4091486 36.2163322 36.6215198 36.8607981 36.9346264
37.8475964 38.5512766 39.6323435 39.6538887 39.6604486
40.6619353 43.1863388 44.9169502 45.1810543 45.3448512
46.7825715 47.5381614 49.6819431 50.2492889 50.4272633
50.5014618 51.2550347 52.3811319 53.6221834 53.7911246
53.9659297 55.4346438 56.5440936 57.2875719 57.6942298
59.3671673 60.7392142 61.0688146 61.8229793 62.9417336
63.3663325 63.4517255 64.7332327 65.5897472 66.2302591
66.9609405
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034279 0.0034324 0.0034325 0.0034327 0.0034342
0.0034343 1.9149270 3.5971682 4.1363908 4.6546633
5.7197863 7.0513487 17.2175461 31.4373159 40.3131502
47.2525555 57.9186438 71.7819478 106.5362653 126.0795386
145.4821694 162.7287601 171.7986342 186.3187132 213.0560760
220.5872760 223.4840886 249.3831594 270.7432358 307.4043933
322.1217392 323.9451777 337.9386198 343.0440815 350.9622857
361.0530492 366.7398318 370.3558100 380.8267620 398.7313604
410.7547732 430.6425813 431.0240927 437.7872598 458.6161404
470.4780048 474.3750664 475.6237050 491.0566434 495.3988367
496.5037380 501.1336646 518.5596293 522.1042780 551.9733336
562.1918910 580.0478037 585.5864029 588.2156219 598.4383462
610.0559412 623.4039415 624.9233782 628.2947421 633.9082304
636.9894559 653.5028906 657.1484106 659.2917590 659.9516753
668.0584044 674.2402301 683.6284952 683.8142896 683.8708482
692.4514085 713.6224007 727.7804922 729.9169698 731.2388735
742.7408753 748.7148909 765.4107666 769.7686863 771.1306764
771.6977875 777.4340294 785.9279245 795.1838063 796.4354676
797.7285068 808.5109590 816.5615076 821.9123152 824.8243443
836.6974471 846.3107643 848.6039038 853.8277103 861.5185450
864.4195218 865.0017752 873.6931449 879.4542639 883.7379543
888.5994756
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 20224
Rtb_to_modes> Number of blocs = 192
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: 9.9648E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9912E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9917E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9924E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.1097E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.0973E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.4510E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.8373E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.7744E-03
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 4.2165E-03
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.5139E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.3811E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1378
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.1893
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.2845
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4370
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.9625
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.348
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.795
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.246
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.503
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.944
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.849
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.126
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.235
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.274
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.216
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.014
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.799
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 8.899
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 9.685
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 9.980
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.45
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 11.05
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.41
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 11.63
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 12.30
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 13.48
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 14.31
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 15.73
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 15.75
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 16.25
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 17.84
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 19.08
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 19.18
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 20.45
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 20.81
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 20.91
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 21.30
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 22.80
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 23.12
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 25.84
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 26.80
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 28.53
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 29.08
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 29.34
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 30.37
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 31.56
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 32.96
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 33.12
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 33.48
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 34.08
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 34.41
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.22
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 36.62
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 36.86
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 36.93
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 37.85
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 38.55
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 39.63
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 39.65
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 39.66
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 40.66
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 43.19
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 44.92
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 45.18
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 45.34
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 46.78
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 47.54
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.68
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.25
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 50.43
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 50.50
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.26
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 52.38
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.62
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 53.79
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 53.97
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 55.43
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 56.54
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 57.29
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 57.69
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 59.37
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 60.74
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 61.07
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 61.82
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 62.94
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 63.37
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 63.45
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 64.73
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 65.59
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 66.23
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 66.96
Rtb_to_modes> 106 vectors, with 1152 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99998 0.99999 1.00000 1.00000
1.00000 1.00001 1.00000 1.00000 1.00001
0.99999 1.00000 1.00001 0.99998 1.00002
1.00000 1.00000 0.99998 1.00002 0.99998
1.00000 1.00000 0.99999 0.99998 0.99998
1.00000 1.00000 0.99998 1.00000 1.00000
1.00004 0.99998 1.00002 0.99998 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00001 0.99999 1.00001 0.99997
0.99998 1.00000 0.99999 1.00000 1.00002
1.00001 1.00001 1.00004 1.00000 1.00003
1.00000 1.00003 0.99999 0.99999 1.00002
1.00000 0.99998 0.99999 0.99998 0.99996
0.99999 1.00002 1.00002 1.00000 0.99997
0.99999 1.00003 1.00000 0.99996 1.00001
0.99998 0.99996 0.99999 1.00000 0.99998
0.99998 1.00001 1.00000 0.99996 1.00000
1.00002 0.99998 0.99997 1.00000 1.00000
0.99999 0.99999 0.99999 1.00003 0.99998
1.00001 0.99999 1.00003 1.00001 1.00000
1.00000 0.99998 1.00001 1.00003 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 364032 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99998 0.99999 1.00000 1.00000
1.00000 1.00001 1.00000 1.00000 1.00001
0.99999 1.00000 1.00001 0.99998 1.00002
1.00000 1.00000 0.99998 1.00002 0.99998
1.00000 1.00000 0.99999 0.99998 0.99998
1.00000 1.00000 0.99998 1.00000 1.00000
1.00004 0.99998 1.00002 0.99998 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00001 0.99999 1.00001 0.99997
0.99998 1.00000 0.99999 1.00000 1.00002
1.00001 1.00001 1.00004 1.00000 1.00003
1.00000 1.00003 0.99999 0.99999 1.00002
1.00000 0.99998 0.99999 0.99998 0.99996
0.99999 1.00002 1.00002 1.00000 0.99997
0.99999 1.00003 1.00000 0.99996 1.00001
0.99998 0.99996 0.99999 1.00000 0.99998
0.99998 1.00001 1.00000 0.99996 1.00000
1.00002 0.99998 0.99997 1.00000 1.00000
0.99999 0.99999 0.99999 1.00003 0.99998
1.00001 0.99999 1.00003 1.00001 1.00000
1.00000 0.99998 1.00001 1.00003 1.00000
0.99999
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> 2402021700581295923.eigenfacs
Openam> file on opening on unit 10:
2402021700581295923.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402021700581295923.atom
Openam> file on opening on unit 11:
2402021700581295923.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 = 1324
First residue number = 1
Last residue number = 450
Number of atoms found = 20224
Mean number per residue = 15.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9648E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9912E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9917E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9924E-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: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1097E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0973E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4510E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8373E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.7744E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 4.2165E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5139E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.3811E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2845
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 8.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 11.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 11.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 12.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 13.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 17.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 19.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 19.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 20.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 21.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 22.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 23.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 25.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 26.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 28.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 29.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 29.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 30.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 31.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 32.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 33.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 33.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 34.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 34.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 36.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 36.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 36.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 37.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 38.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 39.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 39.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 39.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 40.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 43.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 44.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 45.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 45.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 46.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 47.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 50.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 50.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 52.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 53.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 53.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 55.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 56.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 57.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 57.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 59.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 60.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 61.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 61.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 62.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 63.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 63.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 64.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 65.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 66.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 66.96
Bfactors> 106 vectors, 60672 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 : 0.000311
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 4.592 +/- 2.72
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -4.592
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402021700581295923 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=0
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=100
2402021700581295923.eigenfacs
2402021700581295923.atom
making animated gifs
11 models are in 2402021700581295923.7.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 2402021700581295923.7.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 2402021700581295923.7.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 2402021700581295923 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=0
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=100
2402021700581295923.eigenfacs
2402021700581295923.atom
making animated gifs
11 models are in 2402021700581295923.8.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 2402021700581295923.8.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 2402021700581295923.8.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 2402021700581295923 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=0
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=100
2402021700581295923.eigenfacs
2402021700581295923.atom
making animated gifs
11 models are in 2402021700581295923.9.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 2402021700581295923.9.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 2402021700581295923.9.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 2402021700581295923 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=0
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=100
2402021700581295923.eigenfacs
2402021700581295923.atom
making animated gifs
11 models are in 2402021700581295923.10.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 2402021700581295923.10.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 2402021700581295923.10.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 2402021700581295923 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=-20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=0
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=20
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=40
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=60
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=80
2402021700581295923.eigenfacs
2402021700581295923.atom
calculating perturbed structure for DQ=100
2402021700581295923.eigenfacs
2402021700581295923.atom
making animated gifs
11 models are in 2402021700581295923.11.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 2402021700581295923.11.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 2402021700581295923.11.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
2402021700581295923.10.pdb
2402021700581295923.11.pdb
2402021700581295923.7.pdb
2402021700581295923.8.pdb
2402021700581295923.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 2m37.663s
user 2m37.062s
sys 0m0.540s
../../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: 2402021700581295923.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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