*** MEMBRANE PROTEIN 08-JUN-17 XXXX ***
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 = 2402030124501330535.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 2402030124501330535.atom to be opened.
Openam> File opened: 2402030124501330535.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 = 1011
First residue number = 1
Last residue number = 337
Number of atoms found = 7971
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 0.000922 +/- 19.616523 From: -40.612000 To: 40.070000
= 0.000048 +/- 19.616527 From: -41.153000 To: 36.604000
= 6.101426 +/- 13.428399 From: -22.927000 To: 37.216000
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 1.1033 % Filled.
Pdbmat> 3154544 non-zero elements.
Pdbmat> 345257 atom-atom interactions.
Pdbmat> Number per atom= 86.63 +/- 21.20
Maximum number = 130
Minimum number = 9
Pdbmat> Matrix trace = 6.905140E+06
Pdbmat> Larger element = 508.493
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1011 non-zero elements, NRBL set to 6
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 = 2402030124501330535.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2402030124501330535.atom to be opened.
Openam> file on opening on unit 11:
2402030124501330535.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7971 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1011 residues.
Blocpdb> 51 atoms in block 1
Block first atom: 1
Blocpdb> 45 atoms in block 2
Block first atom: 52
Blocpdb> 51 atoms in block 3
Block first atom: 97
Blocpdb> 51 atoms in block 4
Block first atom: 148
Blocpdb> 40 atoms in block 5
Block first atom: 199
Blocpdb> 48 atoms in block 6
Block first atom: 239
Blocpdb> 45 atoms in block 7
Block first atom: 287
Blocpdb> 45 atoms in block 8
Block first atom: 332
Blocpdb> 49 atoms in block 9
Block first atom: 377
Blocpdb> 56 atoms in block 10
Block first atom: 426
Blocpdb> 42 atoms in block 11
Block first atom: 482
Blocpdb> 42 atoms in block 12
Block first atom: 524
Blocpdb> 51 atoms in block 13
Block first atom: 566
Blocpdb> 35 atoms in block 14
Block first atom: 617
Blocpdb> 50 atoms in block 15
Block first atom: 652
Blocpdb> 51 atoms in block 16
Block first atom: 702
Blocpdb> 49 atoms in block 17
Block first atom: 753
Blocpdb> 41 atoms in block 18
Block first atom: 802
Blocpdb> 46 atoms in block 19
Block first atom: 843
Blocpdb> 53 atoms in block 20
Block first atom: 889
Blocpdb> 50 atoms in block 21
Block first atom: 942
Blocpdb> 38 atoms in block 22
Block first atom: 992
Blocpdb> 61 atoms in block 23
Block first atom: 1030
Blocpdb> 42 atoms in block 24
Block first atom: 1091
Blocpdb> 47 atoms in block 25
Block first atom: 1133
Blocpdb> 50 atoms in block 26
Block first atom: 1180
Blocpdb> 53 atoms in block 27
Block first atom: 1230
Blocpdb> 42 atoms in block 28
Block first atom: 1283
Blocpdb> 41 atoms in block 29
Block first atom: 1325
Blocpdb> 48 atoms in block 30
Block first atom: 1366
Blocpdb> 36 atoms in block 31
Block first atom: 1414
Blocpdb> 61 atoms in block 32
Block first atom: 1450
Blocpdb> 44 atoms in block 33
Block first atom: 1511
Blocpdb> 41 atoms in block 34
Block first atom: 1555
Blocpdb> 45 atoms in block 35
Block first atom: 1596
Blocpdb> 45 atoms in block 36
Block first atom: 1641
Blocpdb> 46 atoms in block 37
Block first atom: 1686
Blocpdb> 49 atoms in block 38
Block first atom: 1732
Blocpdb> 51 atoms in block 39
Block first atom: 1781
Blocpdb> 51 atoms in block 40
Block first atom: 1832
Blocpdb> 48 atoms in block 41
Block first atom: 1883
Blocpdb> 49 atoms in block 42
Block first atom: 1931
Blocpdb> 51 atoms in block 43
Block first atom: 1980
Blocpdb> 48 atoms in block 44
Block first atom: 2031
Blocpdb> 45 atoms in block 45
Block first atom: 2079
Blocpdb> 50 atoms in block 46
Block first atom: 2124
Blocpdb> 37 atoms in block 47
Block first atom: 2174
Blocpdb> 49 atoms in block 48
Block first atom: 2211
Blocpdb> 49 atoms in block 49
Block first atom: 2260
Blocpdb> 60 atoms in block 50
Block first atom: 2309
Blocpdb> 45 atoms in block 51
Block first atom: 2369
Blocpdb> 57 atoms in block 52
Block first atom: 2414
Blocpdb> 51 atoms in block 53
Block first atom: 2471
Blocpdb> 35 atoms in block 54
Block first atom: 2522
Blocpdb> 42 atoms in block 55
Block first atom: 2557
Blocpdb> 47 atoms in block 56
Block first atom: 2599
Blocpdb> 12 atoms in block 57
Block first atom: 2646
Blocpdb> 51 atoms in block 58
Block first atom: 2658
Blocpdb> 45 atoms in block 59
Block first atom: 2709
Blocpdb> 51 atoms in block 60
Block first atom: 2754
Blocpdb> 51 atoms in block 61
Block first atom: 2805
Blocpdb> 40 atoms in block 62
Block first atom: 2856
Blocpdb> 48 atoms in block 63
Block first atom: 2896
Blocpdb> 45 atoms in block 64
Block first atom: 2944
Blocpdb> 45 atoms in block 65
Block first atom: 2989
Blocpdb> 49 atoms in block 66
Block first atom: 3034
Blocpdb> 56 atoms in block 67
Block first atom: 3083
Blocpdb> 42 atoms in block 68
Block first atom: 3139
Blocpdb> 42 atoms in block 69
Block first atom: 3181
Blocpdb> 51 atoms in block 70
Block first atom: 3223
Blocpdb> 35 atoms in block 71
Block first atom: 3274
Blocpdb> 50 atoms in block 72
Block first atom: 3309
Blocpdb> 51 atoms in block 73
Block first atom: 3359
Blocpdb> 49 atoms in block 74
Block first atom: 3410
Blocpdb> 41 atoms in block 75
Block first atom: 3459
Blocpdb> 46 atoms in block 76
Block first atom: 3500
Blocpdb> 53 atoms in block 77
Block first atom: 3546
Blocpdb> 50 atoms in block 78
Block first atom: 3599
Blocpdb> 38 atoms in block 79
Block first atom: 3649
Blocpdb> 61 atoms in block 80
Block first atom: 3687
Blocpdb> 42 atoms in block 81
Block first atom: 3748
Blocpdb> 47 atoms in block 82
Block first atom: 3790
Blocpdb> 50 atoms in block 83
Block first atom: 3837
Blocpdb> 53 atoms in block 84
Block first atom: 3887
Blocpdb> 42 atoms in block 85
Block first atom: 3940
Blocpdb> 41 atoms in block 86
Block first atom: 3982
Blocpdb> 48 atoms in block 87
Block first atom: 4023
Blocpdb> 36 atoms in block 88
Block first atom: 4071
Blocpdb> 61 atoms in block 89
Block first atom: 4107
Blocpdb> 44 atoms in block 90
Block first atom: 4168
Blocpdb> 41 atoms in block 91
Block first atom: 4212
Blocpdb> 45 atoms in block 92
Block first atom: 4253
Blocpdb> 45 atoms in block 93
Block first atom: 4298
Blocpdb> 46 atoms in block 94
Block first atom: 4343
Blocpdb> 49 atoms in block 95
Block first atom: 4389
Blocpdb> 51 atoms in block 96
Block first atom: 4438
Blocpdb> 51 atoms in block 97
Block first atom: 4489
Blocpdb> 48 atoms in block 98
Block first atom: 4540
Blocpdb> 49 atoms in block 99
Block first atom: 4588
Blocpdb> 51 atoms in block 100
Block first atom: 4637
Blocpdb> 48 atoms in block 101
Block first atom: 4688
Blocpdb> 45 atoms in block 102
Block first atom: 4736
Blocpdb> 50 atoms in block 103
Block first atom: 4781
Blocpdb> 37 atoms in block 104
Block first atom: 4831
Blocpdb> 49 atoms in block 105
Block first atom: 4868
Blocpdb> 49 atoms in block 106
Block first atom: 4917
Blocpdb> 60 atoms in block 107
Block first atom: 4966
Blocpdb> 45 atoms in block 108
Block first atom: 5026
Blocpdb> 57 atoms in block 109
Block first atom: 5071
Blocpdb> 51 atoms in block 110
Block first atom: 5128
Blocpdb> 35 atoms in block 111
Block first atom: 5179
Blocpdb> 42 atoms in block 112
Block first atom: 5214
Blocpdb> 47 atoms in block 113
Block first atom: 5256
Blocpdb> 12 atoms in block 114
Block first atom: 5303
Blocpdb> 51 atoms in block 115
Block first atom: 5315
Blocpdb> 45 atoms in block 116
Block first atom: 5366
Blocpdb> 51 atoms in block 117
Block first atom: 5411
Blocpdb> 51 atoms in block 118
Block first atom: 5462
Blocpdb> 40 atoms in block 119
Block first atom: 5513
Blocpdb> 48 atoms in block 120
Block first atom: 5553
Blocpdb> 45 atoms in block 121
Block first atom: 5601
Blocpdb> 45 atoms in block 122
Block first atom: 5646
Blocpdb> 49 atoms in block 123
Block first atom: 5691
Blocpdb> 56 atoms in block 124
Block first atom: 5740
Blocpdb> 42 atoms in block 125
Block first atom: 5796
Blocpdb> 42 atoms in block 126
Block first atom: 5838
Blocpdb> 51 atoms in block 127
Block first atom: 5880
Blocpdb> 35 atoms in block 128
Block first atom: 5931
Blocpdb> 50 atoms in block 129
Block first atom: 5966
Blocpdb> 51 atoms in block 130
Block first atom: 6016
Blocpdb> 49 atoms in block 131
Block first atom: 6067
Blocpdb> 41 atoms in block 132
Block first atom: 6116
Blocpdb> 46 atoms in block 133
Block first atom: 6157
Blocpdb> 53 atoms in block 134
Block first atom: 6203
Blocpdb> 50 atoms in block 135
Block first atom: 6256
Blocpdb> 38 atoms in block 136
Block first atom: 6306
Blocpdb> 61 atoms in block 137
Block first atom: 6344
Blocpdb> 42 atoms in block 138
Block first atom: 6405
Blocpdb> 47 atoms in block 139
Block first atom: 6447
Blocpdb> 50 atoms in block 140
Block first atom: 6494
Blocpdb> 53 atoms in block 141
Block first atom: 6544
Blocpdb> 42 atoms in block 142
Block first atom: 6597
Blocpdb> 41 atoms in block 143
Block first atom: 6639
Blocpdb> 48 atoms in block 144
Block first atom: 6680
Blocpdb> 36 atoms in block 145
Block first atom: 6728
Blocpdb> 61 atoms in block 146
Block first atom: 6764
Blocpdb> 44 atoms in block 147
Block first atom: 6825
Blocpdb> 41 atoms in block 148
Block first atom: 6869
Blocpdb> 45 atoms in block 149
Block first atom: 6910
Blocpdb> 45 atoms in block 150
Block first atom: 6955
Blocpdb> 46 atoms in block 151
Block first atom: 7000
Blocpdb> 49 atoms in block 152
Block first atom: 7046
Blocpdb> 51 atoms in block 153
Block first atom: 7095
Blocpdb> 51 atoms in block 154
Block first atom: 7146
Blocpdb> 48 atoms in block 155
Block first atom: 7197
Blocpdb> 49 atoms in block 156
Block first atom: 7245
Blocpdb> 51 atoms in block 157
Block first atom: 7294
Blocpdb> 48 atoms in block 158
Block first atom: 7345
Blocpdb> 45 atoms in block 159
Block first atom: 7393
Blocpdb> 50 atoms in block 160
Block first atom: 7438
Blocpdb> 37 atoms in block 161
Block first atom: 7488
Blocpdb> 49 atoms in block 162
Block first atom: 7525
Blocpdb> 49 atoms in block 163
Block first atom: 7574
Blocpdb> 60 atoms in block 164
Block first atom: 7623
Blocpdb> 45 atoms in block 165
Block first atom: 7683
Blocpdb> 57 atoms in block 166
Block first atom: 7728
Blocpdb> 51 atoms in block 167
Block first atom: 7785
Blocpdb> 35 atoms in block 168
Block first atom: 7836
Blocpdb> 42 atoms in block 169
Block first atom: 7871
Blocpdb> 47 atoms in block 170
Block first atom: 7913
Blocpdb> 12 atoms in block 171
Block first atom: 7959
Blocpdb> 171 blocks.
Blocpdb> At most, 61 atoms in each of them.
Blocpdb> At least, 12 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> 3154715 matrix lines read.
Prepmat> Matrix order = 23913
Prepmat> Matrix trace = 6905140.0000
Prepmat> Last element read: 23913 23913 271.0709
Prepmat> 14707 lines saved.
Prepmat> 13173 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: 7971
RTB> Total mass = 7971.0000
RTB> Number of atoms found in matrix: 7971
RTB> Number of blocks = 171
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 213256.7417
RTB> 52623 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 = 1026
Diagstd> Nb of non-zero elements: 52623
Diagstd> Projected matrix trace = 213256.7417
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1026 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 213256.7417
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 0.9857459 0.9860662 1.4720028 2.4185448
2.5916894 2.5920429 3.9608995 3.9617075 5.1213320
5.1218883 5.2716239 5.8388573 6.0472290 7.7396665
7.7407617 8.2283884 8.8640053 8.8651167 9.7552959
10.6116640 10.6126369 11.8025726 11.8034657 12.8096202
12.8181959 12.8186922 13.2775811 14.5655236 14.5660453
14.5825996 15.1100708 15.1106666 15.6937177 16.3579021
16.3589346 16.5533664 18.0914485 18.0922942 19.2814760
19.7722421 19.7745476 20.1899983 21.1776970 21.1784810
21.2766994 22.9186523 22.9194001 23.1744960 24.2598369
24.6097863 24.6109625 25.0391484 25.5267343 25.5271678
27.0778453 27.0806727 27.5241517 28.5119799 28.9686914
28.9694868 29.9633943 30.2515220 30.2541051 30.9129650
32.7137263 33.1113908 33.1137810 33.6059435 33.6107515
35.5582615 35.7158344 35.7212107 36.4729734 36.4750558
37.3959173 37.4034115 38.7114190 38.7167548 39.0376933
39.4530542 39.7006286 39.7554334 39.7718404 41.0107108
41.2755326 41.6883834 41.6894723 43.1263792 43.1299877
43.8637412 45.3693733 45.3708373 45.4779596 46.2529010
46.6016955 46.6046657 47.3980378 47.4021892 48.5017268
48.6169307
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034326 0.0034337 0.0034339 0.0034346 0.0034348
0.0034353 107.8146468 107.8321630 131.7496905 168.8777157
174.8182465 174.8301660 216.1186232 216.1406656 245.7461633
245.7595104 249.3259540 262.3972090 267.0382580 302.1039494
302.1253241 311.4961422 323.3034098 323.3236764 339.1684946
353.7423252 353.7585406 373.0642392 373.0783539 388.6542367
388.7843129 388.7918394 395.6897150 414.4368188 414.4442401
414.6796808 422.1128085 422.1211302 430.1879076 439.1967148
439.2105745 441.8129525 461.8829713 461.8937666 476.8320279
482.8622353 482.8903850 487.9366293 499.7291067 499.7383563
500.8958217 519.8640892 519.8725704 522.7576888 534.8588898
538.7027614 538.7156347 543.3817614 548.6468740 548.6515329
565.0701049 565.0996061 569.7079134 579.8410635 584.4666281
584.4746520 594.4164021 597.2675157 597.2930154 603.7617713
621.0982250 624.8618237 624.8843765 629.5110050 629.5560354
647.5384178 648.9715832 649.0204260 655.8142746 655.8329959
664.0600835 664.1266195 675.6391795 675.6857412 678.4804746
682.0804394 684.2171760 684.6892768 684.8305478 695.4147992
697.6564648 701.1368732 701.1460300 713.1268344 713.1566685
719.1974114 731.4365704 731.4483717 732.3113514 738.5242646
741.3036515 741.3272745 747.6106196 747.6433593 756.2647892
757.1624169
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7971
Rtb_to_modes> Number of blocs = 171
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: 9.9920E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.9857
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.9861
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.472
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.419
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.592
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.592
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.961
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.962
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.121
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.122
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.272
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.839
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.047
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.740
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.741
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.228
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.864
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.865
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.755
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 12.81
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 14.57
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 14.57
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.58
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 15.11
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 15.11
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 15.69
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 16.36
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 16.36
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 16.55
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.09
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.09
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 19.28
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.77
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 19.77
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 21.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 21.18
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 21.28
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 22.92
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 22.92
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 23.17
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 24.26
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 25.04
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 25.53
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 25.53
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 27.52
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 28.51
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 28.97
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 28.97
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 29.96
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 30.25
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 30.25
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 30.91
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 32.71
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 33.11
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 33.11
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 33.61
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 33.61
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 35.56
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 35.72
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 35.72
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 36.47
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 36.48
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 38.71
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 38.72
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 39.04
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 39.70
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 39.76
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.77
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 41.01
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 41.69
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 41.69
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 43.13
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 43.13
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 43.86
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 45.37
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 45.37
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 45.48
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 46.25
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 46.60
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 46.60
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 47.40
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 47.40
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 48.50
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 48.62
Rtb_to_modes> 106 vectors, with 1026 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00000
1.00003 1.00003 1.00000 1.00002 1.00001
0.99999 0.99999 1.00002 1.00003 0.99998
1.00001 0.99998 1.00000 1.00000 0.99998
1.00001 1.00000 0.99998 1.00001 0.99998
0.99998 1.00000 0.99998 1.00001 1.00001
1.00002 1.00001 1.00000 1.00001 0.99999
1.00000 1.00000 1.00000 1.00001 0.99998
0.99998 0.99999 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00000 1.00001 0.99998 1.00001 1.00001
0.99999 1.00000 1.00001 0.99999 1.00001
1.00000 1.00000 1.00000 1.00001 1.00000
0.99998 1.00000 1.00001 1.00000 1.00001
1.00001 0.99998 1.00001 1.00000 1.00000
0.99997 0.99999 1.00001 0.99998 1.00000
1.00000 1.00001 1.00001 1.00000 1.00002
1.00000 1.00000 1.00000 1.00000 1.00000
1.00001 1.00002 0.99999 1.00001 0.99999
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 143478 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 1.00000
1.00003 1.00003 1.00000 1.00002 1.00001
0.99999 0.99999 1.00002 1.00003 0.99998
1.00001 0.99998 1.00000 1.00000 0.99998
1.00001 1.00000 0.99998 1.00001 0.99998
0.99998 1.00000 0.99998 1.00001 1.00001
1.00002 1.00001 1.00000 1.00001 0.99999
1.00000 1.00000 1.00000 1.00001 0.99998
0.99998 0.99999 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00000 1.00001 0.99998 1.00001 1.00001
0.99999 1.00000 1.00001 0.99999 1.00001
1.00000 1.00000 1.00000 1.00001 1.00000
0.99998 1.00000 1.00001 1.00000 1.00001
1.00001 0.99998 1.00001 1.00000 1.00000
0.99997 0.99999 1.00001 0.99998 1.00000
1.00000 1.00001 1.00001 1.00000 1.00002
1.00000 1.00000 1.00000 1.00000 1.00000
1.00001 1.00002 0.99999 1.00001 0.99999
1.00000 1.00001 0.99999 1.00000 1.00000
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000 0.000
Vector 5: 0.000-0.000-0.000 0.000
Vector 6: 0.000-0.000-0.000 0.000 0.000
Vector 7: 0.000-0.000-0.000 0.000-0.000 0.000
Vector 8:-0.000-0.000 0.000-0.000-0.000 0.000 0.000
Vector 9: 0.000-0.000 0.000-0.000 0.000-0.000 0.000 0.000
Vector 10:-0.000 0.000 0.000 0.000 0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402030124501330535.eigenfacs
Openam> file on opening on unit 10:
2402030124501330535.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402030124501330535.atom
Openam> file on opening on unit 11:
2402030124501330535.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 = 1011
First residue number = 1
Last residue number = 337
Number of atoms found = 7971
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9920E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.962
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.740
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 15.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 19.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 21.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 21.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 21.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 22.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 22.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 23.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 24.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 25.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 25.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 25.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 27.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 28.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 29.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 30.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 30.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 30.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 32.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 33.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 33.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 33.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 33.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 35.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 35.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 35.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 36.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 36.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 38.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 38.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 39.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 39.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 39.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 41.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 41.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 41.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 43.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 43.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 43.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 45.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 45.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 45.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 46.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 46.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 46.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 47.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 47.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 48.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 48.62
Bfactors> 106 vectors, 23913 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 : 0.985700
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= 0.838 for 1020 C-alpha atoms.
Bfactors> = 0.018 +/- 0.01
Bfactors> = 18.383 +/- 5.96
Bfactors> Shiftng-fct= 18.365
Bfactors> Scaling-fct= 416.510
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402030124501330535 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=0
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=100
2402030124501330535.eigenfacs
2402030124501330535.atom
making animated gifs
11 models are in 2402030124501330535.7.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 2402030124501330535.7.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 2402030124501330535.7.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 2402030124501330535 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=0
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=100
2402030124501330535.eigenfacs
2402030124501330535.atom
making animated gifs
11 models are in 2402030124501330535.8.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 2402030124501330535.8.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 2402030124501330535.8.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 2402030124501330535 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=0
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=100
2402030124501330535.eigenfacs
2402030124501330535.atom
making animated gifs
11 models are in 2402030124501330535.9.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 2402030124501330535.9.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 2402030124501330535.9.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 2402030124501330535 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=0
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=100
2402030124501330535.eigenfacs
2402030124501330535.atom
making animated gifs
11 models are in 2402030124501330535.10.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 2402030124501330535.10.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 2402030124501330535.10.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 2402030124501330535 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=-20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=0
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=20
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=40
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=60
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=80
2402030124501330535.eigenfacs
2402030124501330535.atom
calculating perturbed structure for DQ=100
2402030124501330535.eigenfacs
2402030124501330535.atom
making animated gifs
11 models are in 2402030124501330535.11.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 2402030124501330535.11.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 2402030124501330535.11.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
2402030124501330535.10.pdb
2402030124501330535.11.pdb
2402030124501330535.7.pdb
2402030124501330535.8.pdb
2402030124501330535.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m36.667s
user 0m36.517s
sys 0m0.128s
../../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: 2402030124501330535.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
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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
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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