*** SbcCD ***
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 = 240322225736162140.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 240322225736162140.atom to be opened.
Openam> File opened: 240322225736162140.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 = 896
First residue number = 1
Last residue number = 896
Number of atoms found = 7259
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 8.669725 +/- 23.917513 From: -43.255000 To: 63.678000
= 7.849375 +/- 19.255637 From: -35.831000 To: 55.484000
= -13.875985 +/- 41.850557 From: -117.628000 To: 56.716000
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 0.9281 % Filled.
Pdbmat> 2200699 non-zero elements.
Pdbmat> 239725 atom-atom interactions.
Pdbmat> Number per atom= 66.05 +/- 22.31
Maximum number = 122
Minimum number = 9
Pdbmat> Matrix trace = 4.794500E+06
Pdbmat> Larger element = 500.546
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
896 non-zero elements, NRBL set to 5
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 = 240322225736162140.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 240322225736162140.atom to be opened.
Openam> file on opening on unit 11:
240322225736162140.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7259 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 896 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 36 atoms in block 2
Block first atom: 45
Blocpdb> 42 atoms in block 3
Block first atom: 81
Blocpdb> 36 atoms in block 4
Block first atom: 123
Blocpdb> 46 atoms in block 5
Block first atom: 159
Blocpdb> 39 atoms in block 6
Block first atom: 205
Blocpdb> 37 atoms in block 7
Block first atom: 244
Blocpdb> 29 atoms in block 8
Block first atom: 281
Blocpdb> 38 atoms in block 9
Block first atom: 310
Blocpdb> 38 atoms in block 10
Block first atom: 348
Blocpdb> 30 atoms in block 11
Block first atom: 386
Blocpdb> 34 atoms in block 12
Block first atom: 416
Blocpdb> 35 atoms in block 13
Block first atom: 450
Blocpdb> 40 atoms in block 14
Block first atom: 485
Blocpdb> 36 atoms in block 15
Block first atom: 525
Blocpdb> 50 atoms in block 16
Block first atom: 561
Blocpdb> 47 atoms in block 17
Block first atom: 611
Blocpdb> 46 atoms in block 18
Block first atom: 658
Blocpdb> 46 atoms in block 19
Block first atom: 704
Blocpdb> 38 atoms in block 20
Block first atom: 750
Blocpdb> 42 atoms in block 21
Block first atom: 788
Blocpdb> 46 atoms in block 22
Block first atom: 830
Blocpdb> 42 atoms in block 23
Block first atom: 876
Blocpdb> 42 atoms in block 24
Block first atom: 918
Blocpdb> 42 atoms in block 25
Block first atom: 960
Blocpdb> 36 atoms in block 26
Block first atom: 1002
Blocpdb> 43 atoms in block 27
Block first atom: 1038
Blocpdb> 37 atoms in block 28
Block first atom: 1081
Blocpdb> 50 atoms in block 29
Block first atom: 1118
Blocpdb> 38 atoms in block 30
Block first atom: 1168
Blocpdb> 39 atoms in block 31
Block first atom: 1206
Blocpdb> 45 atoms in block 32
Block first atom: 1245
Blocpdb> 38 atoms in block 33
Block first atom: 1290
Blocpdb> 45 atoms in block 34
Block first atom: 1328
Blocpdb> 42 atoms in block 35
Block first atom: 1373
Blocpdb> 43 atoms in block 36
Block first atom: 1415
Blocpdb> 41 atoms in block 37
Block first atom: 1458
Blocpdb> 37 atoms in block 38
Block first atom: 1499
Blocpdb> 36 atoms in block 39
Block first atom: 1536
Blocpdb> 42 atoms in block 40
Block first atom: 1572
Blocpdb> 45 atoms in block 41
Block first atom: 1614
Blocpdb> 42 atoms in block 42
Block first atom: 1659
Blocpdb> 41 atoms in block 43
Block first atom: 1701
Blocpdb> 43 atoms in block 44
Block first atom: 1742
Blocpdb> 43 atoms in block 45
Block first atom: 1785
Blocpdb> 42 atoms in block 46
Block first atom: 1828
Blocpdb> 43 atoms in block 47
Block first atom: 1870
Blocpdb> 41 atoms in block 48
Block first atom: 1913
Blocpdb> 44 atoms in block 49
Block first atom: 1954
Blocpdb> 43 atoms in block 50
Block first atom: 1998
Blocpdb> 40 atoms in block 51
Block first atom: 2041
Blocpdb> 44 atoms in block 52
Block first atom: 2081
Blocpdb> 42 atoms in block 53
Block first atom: 2125
Blocpdb> 42 atoms in block 54
Block first atom: 2167
Blocpdb> 42 atoms in block 55
Block first atom: 2209
Blocpdb> 45 atoms in block 56
Block first atom: 2251
Blocpdb> 38 atoms in block 57
Block first atom: 2296
Blocpdb> 41 atoms in block 58
Block first atom: 2334
Blocpdb> 43 atoms in block 59
Block first atom: 2375
Blocpdb> 46 atoms in block 60
Block first atom: 2418
Blocpdb> 34 atoms in block 61
Block first atom: 2464
Blocpdb> 47 atoms in block 62
Block first atom: 2498
Blocpdb> 41 atoms in block 63
Block first atom: 2545
Blocpdb> 38 atoms in block 64
Block first atom: 2586
Blocpdb> 43 atoms in block 65
Block first atom: 2624
Blocpdb> 39 atoms in block 66
Block first atom: 2667
Blocpdb> 40 atoms in block 67
Block first atom: 2706
Blocpdb> 41 atoms in block 68
Block first atom: 2746
Blocpdb> 40 atoms in block 69
Block first atom: 2787
Blocpdb> 43 atoms in block 70
Block first atom: 2827
Blocpdb> 36 atoms in block 71
Block first atom: 2870
Blocpdb> 46 atoms in block 72
Block first atom: 2906
Blocpdb> 44 atoms in block 73
Block first atom: 2952
Blocpdb> 45 atoms in block 74
Block first atom: 2996
Blocpdb> 40 atoms in block 75
Block first atom: 3041
Blocpdb> 34 atoms in block 76
Block first atom: 3081
Blocpdb> 45 atoms in block 77
Block first atom: 3115
Blocpdb> 47 atoms in block 78
Block first atom: 3160
Blocpdb> 41 atoms in block 79
Block first atom: 3207
Blocpdb> 42 atoms in block 80
Block first atom: 3248
Blocpdb> 43 atoms in block 81
Block first atom: 3290
Blocpdb> 40 atoms in block 82
Block first atom: 3333
Blocpdb> 38 atoms in block 83
Block first atom: 3373
Blocpdb> 35 atoms in block 84
Block first atom: 3411
Blocpdb> 36 atoms in block 85
Block first atom: 3446
Blocpdb> 37 atoms in block 86
Block first atom: 3482
Blocpdb> 42 atoms in block 87
Block first atom: 3519
Blocpdb> 42 atoms in block 88
Block first atom: 3561
Blocpdb> 41 atoms in block 89
Block first atom: 3603
Blocpdb> 40 atoms in block 90
Block first atom: 3644
Blocpdb> 41 atoms in block 91
Block first atom: 3684
Blocpdb> 42 atoms in block 92
Block first atom: 3725
Blocpdb> 38 atoms in block 93
Block first atom: 3767
Blocpdb> 38 atoms in block 94
Block first atom: 3805
Blocpdb> 46 atoms in block 95
Block first atom: 3843
Blocpdb> 41 atoms in block 96
Block first atom: 3889
Blocpdb> 40 atoms in block 97
Block first atom: 3930
Blocpdb> 36 atoms in block 98
Block first atom: 3970
Blocpdb> 39 atoms in block 99
Block first atom: 4006
Blocpdb> 37 atoms in block 100
Block first atom: 4045
Blocpdb> 37 atoms in block 101
Block first atom: 4082
Blocpdb> 48 atoms in block 102
Block first atom: 4119
Blocpdb> 46 atoms in block 103
Block first atom: 4167
Blocpdb> 39 atoms in block 104
Block first atom: 4213
Blocpdb> 43 atoms in block 105
Block first atom: 4252
Blocpdb> 44 atoms in block 106
Block first atom: 4295
Blocpdb> 40 atoms in block 107
Block first atom: 4339
Blocpdb> 34 atoms in block 108
Block first atom: 4379
Blocpdb> 41 atoms in block 109
Block first atom: 4413
Blocpdb> 40 atoms in block 110
Block first atom: 4454
Blocpdb> 42 atoms in block 111
Block first atom: 4494
Blocpdb> 41 atoms in block 112
Block first atom: 4536
Blocpdb> 38 atoms in block 113
Block first atom: 4577
Blocpdb> 40 atoms in block 114
Block first atom: 4615
Blocpdb> 42 atoms in block 115
Block first atom: 4655
Blocpdb> 43 atoms in block 116
Block first atom: 4697
Blocpdb> 41 atoms in block 117
Block first atom: 4740
Blocpdb> 38 atoms in block 118
Block first atom: 4781
Blocpdb> 40 atoms in block 119
Block first atom: 4819
Blocpdb> 41 atoms in block 120
Block first atom: 4859
Blocpdb> 40 atoms in block 121
Block first atom: 4900
Blocpdb> 44 atoms in block 122
Block first atom: 4940
Blocpdb> 39 atoms in block 123
Block first atom: 4984
Blocpdb> 41 atoms in block 124
Block first atom: 5023
Blocpdb> 43 atoms in block 125
Block first atom: 5064
Blocpdb> 38 atoms in block 126
Block first atom: 5107
Blocpdb> 40 atoms in block 127
Block first atom: 5145
Blocpdb> 38 atoms in block 128
Block first atom: 5185
Blocpdb> 48 atoms in block 129
Block first atom: 5223
Blocpdb> 41 atoms in block 130
Block first atom: 5271
Blocpdb> 40 atoms in block 131
Block first atom: 5312
Blocpdb> 38 atoms in block 132
Block first atom: 5352
Blocpdb> 38 atoms in block 133
Block first atom: 5390
Blocpdb> 45 atoms in block 134
Block first atom: 5428
Blocpdb> 37 atoms in block 135
Block first atom: 5473
Blocpdb> 38 atoms in block 136
Block first atom: 5510
Blocpdb> 42 atoms in block 137
Block first atom: 5548
Blocpdb> 42 atoms in block 138
Block first atom: 5590
Blocpdb> 39 atoms in block 139
Block first atom: 5632
Blocpdb> 42 atoms in block 140
Block first atom: 5671
Blocpdb> 44 atoms in block 141
Block first atom: 5713
Blocpdb> 40 atoms in block 142
Block first atom: 5757
Blocpdb> 36 atoms in block 143
Block first atom: 5797
Blocpdb> 42 atoms in block 144
Block first atom: 5833
Blocpdb> 39 atoms in block 145
Block first atom: 5875
Blocpdb> 43 atoms in block 146
Block first atom: 5914
Blocpdb> 40 atoms in block 147
Block first atom: 5957
Blocpdb> 37 atoms in block 148
Block first atom: 5997
Blocpdb> 44 atoms in block 149
Block first atom: 6034
Blocpdb> 42 atoms in block 150
Block first atom: 6078
Blocpdb> 36 atoms in block 151
Block first atom: 6120
Blocpdb> 37 atoms in block 152
Block first atom: 6156
Blocpdb> 40 atoms in block 153
Block first atom: 6193
Blocpdb> 37 atoms in block 154
Block first atom: 6233
Blocpdb> 37 atoms in block 155
Block first atom: 6270
Blocpdb> 46 atoms in block 156
Block first atom: 6307
Blocpdb> 35 atoms in block 157
Block first atom: 6353
Blocpdb> 43 atoms in block 158
Block first atom: 6388
Blocpdb> 44 atoms in block 159
Block first atom: 6431
Blocpdb> 33 atoms in block 160
Block first atom: 6475
Blocpdb> 32 atoms in block 161
Block first atom: 6508
Blocpdb> 39 atoms in block 162
Block first atom: 6540
Blocpdb> 36 atoms in block 163
Block first atom: 6579
Blocpdb> 43 atoms in block 164
Block first atom: 6615
Blocpdb> 40 atoms in block 165
Block first atom: 6658
Blocpdb> 44 atoms in block 166
Block first atom: 6698
Blocpdb> 37 atoms in block 167
Block first atom: 6742
Blocpdb> 37 atoms in block 168
Block first atom: 6779
Blocpdb> 37 atoms in block 169
Block first atom: 6816
Blocpdb> 42 atoms in block 170
Block first atom: 6853
Blocpdb> 37 atoms in block 171
Block first atom: 6895
Blocpdb> 38 atoms in block 172
Block first atom: 6932
Blocpdb> 44 atoms in block 173
Block first atom: 6970
Blocpdb> 38 atoms in block 174
Block first atom: 7014
Blocpdb> 41 atoms in block 175
Block first atom: 7052
Blocpdb> 40 atoms in block 176
Block first atom: 7093
Blocpdb> 39 atoms in block 177
Block first atom: 7133
Blocpdb> 38 atoms in block 178
Block first atom: 7172
Blocpdb> 41 atoms in block 179
Block first atom: 7210
Blocpdb> 9 atoms in block 180
Block first atom: 7250
Blocpdb> 180 blocks.
Blocpdb> At most, 50 atoms in each of them.
Blocpdb> At least, 9 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> 2200879 matrix lines read.
Prepmat> Matrix order = 21777
Prepmat> Matrix trace = 4794500.0000
Prepmat> Last element read: 21777 21777 41.5978
Prepmat> 16291 lines saved.
Prepmat> 15240 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: 7259
RTB> Total mass = 7259.0000
RTB> Number of atoms found in matrix: 7259
RTB> Number of blocks = 180
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 139308.9435
RTB> 35100 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 = 1080
Diagstd> Nb of non-zero elements: 35100
Diagstd> Projected matrix trace = 139308.9435
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1080 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 139308.9435
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 0.0018890 0.0029555 0.0035589 0.0049062
0.0067512 0.0091739 0.0111411 0.0163505 0.0170542
0.0175298 0.0218269 0.0304014 0.0330791 0.0357264
0.0463843 0.0506318 0.0626720 0.0723971 0.0874916
0.0910391 0.1088880 0.1137624 0.1404176 0.1521495
0.1815173 0.2015771 0.2364782 0.2668899 0.3021413
0.3323482 0.3395375 0.4065292 0.4333087 0.4736526
0.4774332 0.5375162 0.5438767 0.5954342 0.6516814
0.6980790 0.7358895 0.8081322 0.8539520 0.8675857
0.9921751 1.0317911 1.0925258 1.1562297 1.1831250
1.2069958 1.2733295 1.3972244 1.4320555 1.5491167
1.6083203 1.6571777 1.7469148 1.7710247 1.8294418
1.9441973 2.0335354 2.1071110 2.1210819 2.4377994
2.4912292 2.5551542 2.6148774 2.7431142 2.8117181
2.9656703 3.0147759 3.1702663 3.2679308 3.3900874
3.4958989 3.7050900 3.7422579 3.9461860 4.0142906
4.0850169 4.1231083 4.2397710 4.3868479 4.5810711
4.6371975 4.7021125 4.7878673 5.0825489 5.1040367
5.2375149 5.3666981 5.4242304 5.5580547 5.6548754
5.8657968 5.9762658 6.0967820 6.1485133 6.2689952
6.4324222
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034334 0.0034337 0.0034338 0.0034338
0.0034341 4.7196757 5.9034758 6.4782252 7.6062168
8.9224588 10.4009178 11.4619665 13.8854956 14.1811544
14.3775074 16.0432172 18.9339837 19.7502315 20.5253132
23.3873356 24.4347061 27.1851604 29.2183599 32.1202115
32.7649318 35.8331807 36.6264342 40.6917181 42.3575215
46.2651834 48.7546315 52.8069232 56.0998019 59.6898308
62.6025378 63.2760196 69.2374625 71.4815509 74.7352054
75.0328738 79.6142970 80.0839558 83.7938577 87.6623154
90.7292985 93.1540183 97.6194769 100.3487621 101.1466447
108.1656720 110.3039779 113.5039913 116.7662519 118.1165063
119.3021207 122.5365580 128.3596009 129.9496793 135.1566272
137.7150960 139.7911973 143.5261840 144.5132249 146.8772651
151.4137958 154.8535454 157.6300417 158.1517494 169.5486210
171.3965692 173.5816602 175.5985583 179.8528094 182.0879349
187.0065057 188.5483769 193.3495436 196.3051558 199.9404793
203.0367782 209.0232812 210.0690815 215.7168430 217.5703381
219.4786136 220.4995226 223.5972610 227.4424718 232.4228351
233.8423022 235.4733646 237.6108858 244.8138955 245.3308561
248.5180370 251.5642146 252.9090339 256.0098576 258.2300615
263.0018411 265.4668110 268.1301261 269.2652677 271.8906340
275.4118042
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7259
Rtb_to_modes> Number of blocs = 180
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: 9.9962E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9967E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9991E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.8890E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.9555E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.5589E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.9062E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.7512E-03
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.1739E-03
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.1141E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.6351E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.7054E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.7530E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.1827E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.0401E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.3079E-02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.5726E-02
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.6384E-02
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.0632E-02
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.2672E-02
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.2397E-02
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.7492E-02
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.1039E-02
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.1089
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.1138
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.1404
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.1521
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.1815
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.2016
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.2365
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.2669
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.3021
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.3323
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.3395
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.4065
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.4333
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.4737
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.4774
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 0.5375
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 0.5439
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 0.5954
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 0.6517
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 0.6981
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 0.7359
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 0.8081
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 0.8540
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 0.8676
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 0.9922
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 1.032
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 1.093
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 1.156
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 1.183
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 1.207
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 1.273
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 1.397
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 1.432
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 1.549
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 1.608
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 1.657
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 1.747
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 1.771
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 1.829
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 1.944
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 2.034
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 2.107
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 2.121
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 2.438
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 2.491
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 2.555
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 2.615
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 2.743
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 2.812
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 2.966
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 3.015
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 3.170
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 3.268
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 3.390
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 3.496
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 3.705
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 3.742
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 3.946
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 4.014
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 4.085
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 4.123
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 4.240
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 4.387
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 4.581
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 4.637
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 4.702
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 4.788
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 5.083
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 5.104
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 5.238
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 5.367
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 5.424
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 5.558
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 5.655
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 5.866
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 5.976
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 6.097
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 6.149
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 6.269
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 6.432
Rtb_to_modes> 106 vectors, with 1080 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00003 1.00000
1.00001 0.99999 1.00003 1.00001 1.00001
1.00000 0.99998 1.00003 1.00001 1.00000
1.00002 1.00000 0.99999 1.00003 0.99995
0.99999 0.99999 1.00000 1.00000 1.00001
1.00001 0.99999 0.99999 1.00001 1.00002
0.99999 1.00004 1.00002 0.99998 1.00002
0.99998 0.99998 1.00000 1.00000 0.99997
1.00000 1.00004 1.00001 0.99999 0.99998
1.00002 1.00000 0.99998 1.00000 0.99998
0.99999 0.99998 0.99999 0.99999 1.00003
0.99998 1.00000 0.99998 1.00001 1.00003
0.99999 0.99998 1.00001 1.00000 1.00002
1.00001 1.00001 1.00002 1.00000 0.99997
1.00002 0.99998 0.99999 1.00001 1.00001
1.00000 0.99999 1.00002 0.99996 0.99998
1.00003 0.99999 0.99999 1.00003 1.00001
0.99999 1.00001 1.00002 1.00002 0.99999
1.00001 1.00001 1.00001 1.00001 0.99998
0.99998 1.00000 1.00001 1.00001 0.99999
0.99999 0.99999 1.00001 1.00000 0.99996
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 130662 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00003 1.00000
1.00001 0.99999 1.00003 1.00001 1.00001
1.00000 0.99998 1.00003 1.00001 1.00000
1.00002 1.00000 0.99999 1.00003 0.99995
0.99999 0.99999 1.00000 1.00000 1.00001
1.00001 0.99999 0.99999 1.00001 1.00002
0.99999 1.00004 1.00002 0.99998 1.00002
0.99998 0.99998 1.00000 1.00000 0.99997
1.00000 1.00004 1.00001 0.99999 0.99998
1.00002 1.00000 0.99998 1.00000 0.99998
0.99999 0.99998 0.99999 0.99999 1.00003
0.99998 1.00000 0.99998 1.00001 1.00003
0.99999 0.99998 1.00001 1.00000 1.00002
1.00001 1.00001 1.00002 1.00000 0.99997
1.00002 0.99998 0.99999 1.00001 1.00001
1.00000 0.99999 1.00002 0.99996 0.99998
1.00003 0.99999 0.99999 1.00003 1.00001
0.99999 1.00001 1.00002 1.00002 0.99999
1.00001 1.00001 1.00001 1.00001 0.99998
0.99998 1.00000 1.00001 1.00001 0.99999
0.99999 0.99999 1.00001 1.00000 0.99996
0.99997
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6: 0.000 0.000 0.000 0.000-0.000
Vector 7: 0.000-0.000-0.000 0.000 0.000-0.000
Vector 8: 0.000 0.000-0.000 0.000-0.000 0.000-0.000
Vector 9:-0.000-0.000-0.000 0.000-0.000 0.000-0.000-0.000
Vector 10: 0.000-0.000 0.000-0.000 0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240322225736162140.eigenfacs
Openam> file on opening on unit 10:
240322225736162140.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240322225736162140.atom
Openam> file on opening on unit 11:
240322225736162140.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 = 896
First residue number = 1
Last residue number = 896
Number of atoms found = 7259
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9967E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8890E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9555E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5589E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9062E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7512E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1739E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1141E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6351E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7054E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7530E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1827E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0401E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3079E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5726E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.6384E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.0632E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2672E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2397E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.7492E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1039E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 1.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 1.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 1.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 1.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 1.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 1.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 1.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 1.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 1.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 1.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 1.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 1.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 1.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 1.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 2.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 2.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 2.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 2.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 2.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 2.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 2.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 2.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 2.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 3.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 3.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 3.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 3.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 3.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 3.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 4.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 4.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.432
Bfactors> 106 vectors, 21777 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 : 0.001889
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= -0.436 for 896 C-alpha atoms.
Bfactors> = 4.555 +/- 8.37
Bfactors> = 58.848 +/- 21.05
Bfactors> Shiftng-fct= 54.294
Bfactors> Scaling-fct= 2.514
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240322225736162140 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=0
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=100
240322225736162140.eigenfacs
240322225736162140.atom
making animated gifs
11 models are in 240322225736162140.7.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 240322225736162140.7.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 240322225736162140.7.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 240322225736162140 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=0
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=100
240322225736162140.eigenfacs
240322225736162140.atom
making animated gifs
11 models are in 240322225736162140.8.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 240322225736162140.8.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 240322225736162140.8.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 240322225736162140 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=0
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=100
240322225736162140.eigenfacs
240322225736162140.atom
making animated gifs
11 models are in 240322225736162140.9.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 240322225736162140.9.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 240322225736162140.9.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 240322225736162140 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=0
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=100
240322225736162140.eigenfacs
240322225736162140.atom
making animated gifs
11 models are in 240322225736162140.10.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 240322225736162140.10.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 240322225736162140.10.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 240322225736162140 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=-20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=0
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=20
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=40
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=60
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=80
240322225736162140.eigenfacs
240322225736162140.atom
calculating perturbed structure for DQ=100
240322225736162140.eigenfacs
240322225736162140.atom
making animated gifs
11 models are in 240322225736162140.11.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 240322225736162140.11.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 240322225736162140.11.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
240322225736162140.10.pdb
240322225736162140.11.pdb
240322225736162140.7.pdb
240322225736162140.8.pdb
240322225736162140.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m34.199s
user 0m34.074s
sys 0m0.104s
../../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: 240322225736162140.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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