*** tlr4_dimer ***
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 = 2404022142352098212.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 2404022142352098212.atom to be opened.
Openam> File opened: 2404022142352098212.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 = 1192
First residue number = 27
Last residue number = 625
Number of atoms found = 9498
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 3.860840 +/- 19.900792 From: -45.805000 To: 49.464000
= 6.940935 +/- 22.369579 From: -43.879000 To: 56.888000
= 7.899622 +/- 28.384770 From: -52.938000 To: 64.088000
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 0.8915 % Filled.
Pdbmat> 3619134 non-zero elements.
Pdbmat> 395859 atom-atom interactions.
Pdbmat> Number per atom= 83.36 +/- 20.64
Maximum number = 127
Minimum number = 12
Pdbmat> Matrix trace = 7.917180E+06
Pdbmat> Larger element = 485.996
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1192 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 = 2404022142352098212.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 2404022142352098212.atom to be opened.
Openam> file on opening on unit 11:
2404022142352098212.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9498 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> 1192 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 51 atoms in block 2
Block first atom: 45
Blocpdb> 48 atoms in block 3
Block first atom: 96
Blocpdb> 45 atoms in block 4
Block first atom: 144
Blocpdb> 43 atoms in block 5
Block first atom: 189
Blocpdb> 49 atoms in block 6
Block first atom: 232
Blocpdb> 48 atoms in block 7
Block first atom: 281
Blocpdb> 50 atoms in block 8
Block first atom: 329
Blocpdb> 51 atoms in block 9
Block first atom: 379
Blocpdb> 55 atoms in block 10
Block first atom: 430
Blocpdb> 47 atoms in block 11
Block first atom: 485
Blocpdb> 55 atoms in block 12
Block first atom: 532
Blocpdb> 46 atoms in block 13
Block first atom: 587
Blocpdb> 43 atoms in block 14
Block first atom: 633
Blocpdb> 49 atoms in block 15
Block first atom: 676
Blocpdb> 40 atoms in block 16
Block first atom: 725
Blocpdb> 42 atoms in block 17
Block first atom: 765
Blocpdb> 44 atoms in block 18
Block first atom: 807
Blocpdb> 43 atoms in block 19
Block first atom: 851
Blocpdb> 45 atoms in block 20
Block first atom: 894
Blocpdb> 49 atoms in block 21
Block first atom: 939
Blocpdb> 47 atoms in block 22
Block first atom: 988
Blocpdb> 49 atoms in block 23
Block first atom: 1035
Blocpdb> 52 atoms in block 24
Block first atom: 1084
Blocpdb> 45 atoms in block 25
Block first atom: 1136
Blocpdb> 46 atoms in block 26
Block first atom: 1181
Blocpdb> 56 atoms in block 27
Block first atom: 1227
Blocpdb> 46 atoms in block 28
Block first atom: 1283
Blocpdb> 56 atoms in block 29
Block first atom: 1329
Blocpdb> 45 atoms in block 30
Block first atom: 1385
Blocpdb> 46 atoms in block 31
Block first atom: 1430
Blocpdb> 51 atoms in block 32
Block first atom: 1476
Blocpdb> 46 atoms in block 33
Block first atom: 1527
Blocpdb> 52 atoms in block 34
Block first atom: 1573
Blocpdb> 49 atoms in block 35
Block first atom: 1625
Blocpdb> 44 atoms in block 36
Block first atom: 1674
Blocpdb> 47 atoms in block 37
Block first atom: 1718
Blocpdb> 42 atoms in block 38
Block first atom: 1765
Blocpdb> 49 atoms in block 39
Block first atom: 1807
Blocpdb> 57 atoms in block 40
Block first atom: 1856
Blocpdb> 53 atoms in block 41
Block first atom: 1913
Blocpdb> 42 atoms in block 42
Block first atom: 1966
Blocpdb> 44 atoms in block 43
Block first atom: 2008
Blocpdb> 54 atoms in block 44
Block first atom: 2052
Blocpdb> 52 atoms in block 45
Block first atom: 2106
Blocpdb> 51 atoms in block 46
Block first atom: 2158
Blocpdb> 44 atoms in block 47
Block first atom: 2209
Blocpdb> 38 atoms in block 48
Block first atom: 2253
Blocpdb> 46 atoms in block 49
Block first atom: 2291
Blocpdb> 48 atoms in block 50
Block first atom: 2337
Blocpdb> 59 atoms in block 51
Block first atom: 2385
Blocpdb> 47 atoms in block 52
Block first atom: 2444
Blocpdb> 53 atoms in block 53
Block first atom: 2491
Blocpdb> 49 atoms in block 54
Block first atom: 2544
Blocpdb> 46 atoms in block 55
Block first atom: 2593
Blocpdb> 42 atoms in block 56
Block first atom: 2639
Blocpdb> 50 atoms in block 57
Block first atom: 2681
Blocpdb> 40 atoms in block 58
Block first atom: 2731
Blocpdb> 53 atoms in block 59
Block first atom: 2771
Blocpdb> 44 atoms in block 60
Block first atom: 2824
Blocpdb> 40 atoms in block 61
Block first atom: 2868
Blocpdb> 41 atoms in block 62
Block first atom: 2908
Blocpdb> 53 atoms in block 63
Block first atom: 2949
Blocpdb> 42 atoms in block 64
Block first atom: 3002
Blocpdb> 46 atoms in block 65
Block first atom: 3044
Blocpdb> 46 atoms in block 66
Block first atom: 3090
Blocpdb> 55 atoms in block 67
Block first atom: 3136
Blocpdb> 51 atoms in block 68
Block first atom: 3191
Blocpdb> 45 atoms in block 69
Block first atom: 3242
Blocpdb> 51 atoms in block 70
Block first atom: 3287
Blocpdb> 52 atoms in block 71
Block first atom: 3338
Blocpdb> 49 atoms in block 72
Block first atom: 3390
Blocpdb> 47 atoms in block 73
Block first atom: 3439
Blocpdb> 44 atoms in block 74
Block first atom: 3486
Blocpdb> 48 atoms in block 75
Block first atom: 3530
Blocpdb> 43 atoms in block 76
Block first atom: 3578
Blocpdb> 45 atoms in block 77
Block first atom: 3621
Blocpdb> 45 atoms in block 78
Block first atom: 3666
Blocpdb> 50 atoms in block 79
Block first atom: 3711
Blocpdb> 46 atoms in block 80
Block first atom: 3761
Blocpdb> 50 atoms in block 81
Block first atom: 3807
Blocpdb> 51 atoms in block 82
Block first atom: 3857
Blocpdb> 52 atoms in block 83
Block first atom: 3908
Blocpdb> 48 atoms in block 84
Block first atom: 3960
Blocpdb> 47 atoms in block 85
Block first atom: 4008
Blocpdb> 59 atoms in block 86
Block first atom: 4055
Blocpdb> 43 atoms in block 87
Block first atom: 4114
Blocpdb> 50 atoms in block 88
Block first atom: 4157
Blocpdb> 43 atoms in block 89
Block first atom: 4207
Blocpdb> 54 atoms in block 90
Block first atom: 4250
Blocpdb> 49 atoms in block 91
Block first atom: 4304
Blocpdb> 44 atoms in block 92
Block first atom: 4353
Blocpdb> 44 atoms in block 93
Block first atom: 4397
Blocpdb> 60 atoms in block 94
Block first atom: 4441
Blocpdb> 52 atoms in block 95
Block first atom: 4501
Blocpdb> 50 atoms in block 96
Block first atom: 4553
Blocpdb> 42 atoms in block 97
Block first atom: 4603
Blocpdb> 7 atoms in block 98
Block first atom: 4645
Blocpdb> 44 atoms in block 99
Block first atom: 4652
Blocpdb> 48 atoms in block 100
Block first atom: 4696
Blocpdb> 6 atoms in block 101
Block first atom: 4744
Blocpdb> 44 atoms in block 102
Block first atom: 4750
Blocpdb> 51 atoms in block 103
Block first atom: 4794
Blocpdb> 48 atoms in block 104
Block first atom: 4845
Blocpdb> 45 atoms in block 105
Block first atom: 4893
Blocpdb> 43 atoms in block 106
Block first atom: 4938
Blocpdb> 49 atoms in block 107
Block first atom: 4981
Blocpdb> 48 atoms in block 108
Block first atom: 5030
Blocpdb> 50 atoms in block 109
Block first atom: 5078
Blocpdb> 51 atoms in block 110
Block first atom: 5128
Blocpdb> 55 atoms in block 111
Block first atom: 5179
Blocpdb> 47 atoms in block 112
Block first atom: 5234
Blocpdb> 55 atoms in block 113
Block first atom: 5281
Blocpdb> 46 atoms in block 114
Block first atom: 5336
Blocpdb> 43 atoms in block 115
Block first atom: 5382
Blocpdb> 49 atoms in block 116
Block first atom: 5425
Blocpdb> 40 atoms in block 117
Block first atom: 5474
Blocpdb> 42 atoms in block 118
Block first atom: 5514
Blocpdb> 44 atoms in block 119
Block first atom: 5556
Blocpdb> 43 atoms in block 120
Block first atom: 5600
Blocpdb> 45 atoms in block 121
Block first atom: 5643
Blocpdb> 49 atoms in block 122
Block first atom: 5688
Blocpdb> 47 atoms in block 123
Block first atom: 5737
Blocpdb> 49 atoms in block 124
Block first atom: 5784
Blocpdb> 52 atoms in block 125
Block first atom: 5833
Blocpdb> 45 atoms in block 126
Block first atom: 5885
Blocpdb> 46 atoms in block 127
Block first atom: 5930
Blocpdb> 56 atoms in block 128
Block first atom: 5976
Blocpdb> 46 atoms in block 129
Block first atom: 6032
Blocpdb> 56 atoms in block 130
Block first atom: 6078
Blocpdb> 45 atoms in block 131
Block first atom: 6134
Blocpdb> 46 atoms in block 132
Block first atom: 6179
Blocpdb> 51 atoms in block 133
Block first atom: 6225
Blocpdb> 46 atoms in block 134
Block first atom: 6276
Blocpdb> 52 atoms in block 135
Block first atom: 6322
Blocpdb> 49 atoms in block 136
Block first atom: 6374
Blocpdb> 44 atoms in block 137
Block first atom: 6423
Blocpdb> 47 atoms in block 138
Block first atom: 6467
Blocpdb> 42 atoms in block 139
Block first atom: 6514
Blocpdb> 49 atoms in block 140
Block first atom: 6556
Blocpdb> 57 atoms in block 141
Block first atom: 6605
Blocpdb> 53 atoms in block 142
Block first atom: 6662
Blocpdb> 42 atoms in block 143
Block first atom: 6715
Blocpdb> 44 atoms in block 144
Block first atom: 6757
Blocpdb> 54 atoms in block 145
Block first atom: 6801
Blocpdb> 52 atoms in block 146
Block first atom: 6855
Blocpdb> 51 atoms in block 147
Block first atom: 6907
Blocpdb> 44 atoms in block 148
Block first atom: 6958
Blocpdb> 38 atoms in block 149
Block first atom: 7002
Blocpdb> 46 atoms in block 150
Block first atom: 7040
Blocpdb> 48 atoms in block 151
Block first atom: 7086
Blocpdb> 59 atoms in block 152
Block first atom: 7134
Blocpdb> 47 atoms in block 153
Block first atom: 7193
Blocpdb> 53 atoms in block 154
Block first atom: 7240
Blocpdb> 49 atoms in block 155
Block first atom: 7293
Blocpdb> 46 atoms in block 156
Block first atom: 7342
Blocpdb> 42 atoms in block 157
Block first atom: 7388
Blocpdb> 50 atoms in block 158
Block first atom: 7430
Blocpdb> 40 atoms in block 159
Block first atom: 7480
Blocpdb> 53 atoms in block 160
Block first atom: 7520
Blocpdb> 44 atoms in block 161
Block first atom: 7573
Blocpdb> 40 atoms in block 162
Block first atom: 7617
Blocpdb> 41 atoms in block 163
Block first atom: 7657
Blocpdb> 53 atoms in block 164
Block first atom: 7698
Blocpdb> 42 atoms in block 165
Block first atom: 7751
Blocpdb> 46 atoms in block 166
Block first atom: 7793
Blocpdb> 46 atoms in block 167
Block first atom: 7839
Blocpdb> 55 atoms in block 168
Block first atom: 7885
Blocpdb> 51 atoms in block 169
Block first atom: 7940
Blocpdb> 45 atoms in block 170
Block first atom: 7991
Blocpdb> 51 atoms in block 171
Block first atom: 8036
Blocpdb> 52 atoms in block 172
Block first atom: 8087
Blocpdb> 49 atoms in block 173
Block first atom: 8139
Blocpdb> 47 atoms in block 174
Block first atom: 8188
Blocpdb> 44 atoms in block 175
Block first atom: 8235
Blocpdb> 48 atoms in block 176
Block first atom: 8279
Blocpdb> 43 atoms in block 177
Block first atom: 8327
Blocpdb> 45 atoms in block 178
Block first atom: 8370
Blocpdb> 45 atoms in block 179
Block first atom: 8415
Blocpdb> 50 atoms in block 180
Block first atom: 8460
Blocpdb> 46 atoms in block 181
Block first atom: 8510
Blocpdb> 50 atoms in block 182
Block first atom: 8556
Blocpdb> 51 atoms in block 183
Block first atom: 8606
Blocpdb> 52 atoms in block 184
Block first atom: 8657
Blocpdb> 48 atoms in block 185
Block first atom: 8709
Blocpdb> 47 atoms in block 186
Block first atom: 8757
Blocpdb> 59 atoms in block 187
Block first atom: 8804
Blocpdb> 43 atoms in block 188
Block first atom: 8863
Blocpdb> 50 atoms in block 189
Block first atom: 8906
Blocpdb> 43 atoms in block 190
Block first atom: 8956
Blocpdb> 54 atoms in block 191
Block first atom: 8999
Blocpdb> 49 atoms in block 192
Block first atom: 9053
Blocpdb> 44 atoms in block 193
Block first atom: 9102
Blocpdb> 44 atoms in block 194
Block first atom: 9146
Blocpdb> 60 atoms in block 195
Block first atom: 9190
Blocpdb> 52 atoms in block 196
Block first atom: 9250
Blocpdb> 50 atoms in block 197
Block first atom: 9302
Blocpdb> 42 atoms in block 198
Block first atom: 9352
Blocpdb> 7 atoms in block 199
Block first atom: 9394
Blocpdb> 44 atoms in block 200
Block first atom: 9401
Blocpdb> 48 atoms in block 201
Block first atom: 9445
Blocpdb> 6 atoms in block 202
Block first atom: 9492
Blocpdb> 202 blocks.
Blocpdb> At most, 60 atoms in each of them.
Blocpdb> At least, 6 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> 3619336 matrix lines read.
Prepmat> Matrix order = 28494
Prepmat> Matrix trace = 7917180.0000
Prepmat> Last element read: 28494 28494 258.4827
Prepmat> 20504 lines saved.
Prepmat> 18922 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: 9498
RTB> Total mass = 9498.0000
RTB> Number of atoms found in matrix: 9498
RTB> Number of blocks = 202
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 231873.6980
RTB> 53886 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 = 1212
Diagstd> Nb of non-zero elements: 53886
Diagstd> Projected matrix trace = 231873.6980
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1212 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 231873.6980
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 0.0361959 0.0439120 0.0671081 0.1082693
0.1773727 0.2334350 0.2765478 0.3613354 0.6736264
0.8136575 0.8866686 1.2027830 1.2260791 1.4020059
1.4384914 2.1301725 2.8029511 3.0525207 3.1254462
3.6497926 4.2312496 4.4021551 4.8229442 5.1195589
5.5524018 5.6935351 6.1260776 6.6881972 7.0535521
7.1116621 8.2687747 8.4018091 9.1775576 9.7182829
9.9819404 11.0577879 11.2279436 11.3914690 12.1354182
12.3406777 12.3669007 13.3739295 13.8418913 14.2992069
15.0888182 15.9008782 16.1183268 17.0346668 17.6563689
18.1377554 18.7895270 18.8863854 19.6323391 19.9801593
21.1356609 21.2300255 21.8425390 22.4346441 23.0260860
23.4522961 23.6136017 24.1159742 25.3353905 26.2518762
26.7375954 27.3628197 27.6134323 27.8617209 28.5603700
29.3916382 29.7197687 29.8099540 30.5121985 30.8273951
31.4486565 32.0010769 32.5393911 33.2818158 33.6202113
33.8741425 34.0254542 34.4553758 34.7396156 34.8959471
35.3137675 35.9722310 36.8495593 38.1711709 38.4886679
39.2435841 39.4755508 39.7701259 40.1351716 40.5531105
41.2759523 41.3521724 41.5991469 42.6362243 43.1110446
43.7942632
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034308 0.0034327 0.0034337 0.0034338 0.0034342
0.0034353 20.6597594 22.7555301 28.1308390 35.7312208
45.7339429 52.4660389 57.1058266 65.2755515 89.1260849
97.9526295 102.2529755 119.0937342 120.2415403 128.5790473
130.2413578 158.4902944 181.8038369 189.7250114 191.9779254
207.4576126 223.3724477 227.8389385 238.4796892 245.7036195
255.8796349 259.1112565 268.7735508 280.8340842 288.4026327
289.5881843 312.2596428 314.7615562 328.9719274 338.5244567
343.0858187 361.1015964 363.8692807 366.5094251 378.2880772
381.4738610 381.8789471 397.1227756 404.0108209 410.6305488
421.8158487 433.0178862 435.9686479 448.1899373 456.2952808
462.4737105 470.7097607 471.9214357 481.1509017 485.3943910
499.2328984 500.3461220 507.5126136 514.3454151 521.0811238
525.8815862 527.6870027 533.2706550 546.5867274 556.3850529
561.5086533 568.0357963 570.6311512 573.1908504 580.3329041
588.7178129 591.9949373 592.8924676 599.8353151 602.9255588
608.9706032 614.2958436 619.4410628 626.4678476 629.6446235
632.0179829 633.4279838 637.4171963 640.0409846 641.4794903
645.3083829 651.2968345 659.1912427 670.9080782 673.6925119
680.2673269 682.2748765 684.8157860 687.9515322 691.5241724
697.6600124 698.3038640 700.3860584 709.0627153 713.0000385
718.6275989
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9498
Rtb_to_modes> Number of blocs = 202
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: 9.9815E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9925E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.6196E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.3912E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.7108E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1083
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1774
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.2334
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2765
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3613
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.6736
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.8137
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.8867
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.203
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.226
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.402
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.438
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.130
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.803
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.053
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.125
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.650
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.231
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.402
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.823
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 5.120
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 5.552
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 5.694
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 6.126
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 6.688
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.054
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 7.112
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 8.269
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.402
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.178
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.718
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.982
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 11.06
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.23
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 12.14
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.37
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.84
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.30
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 15.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 15.90
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.12
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 17.03
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.66
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 18.14
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.79
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 18.89
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.63
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.98
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 21.23
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 21.84
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.43
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 23.03
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 23.61
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 24.12
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.34
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 26.25
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 26.74
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 27.36
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 27.61
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 28.56
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 29.39
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 29.72
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 29.81
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 30.51
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.83
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 31.45
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 32.00
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 32.54
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 33.28
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 33.62
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 33.87
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 34.03
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 34.46
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 34.74
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.90
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 35.31
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.97
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 36.85
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 38.17
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 38.49
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 39.24
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 39.48
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 39.77
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 40.14
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 41.35
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 41.60
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 42.64
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 43.11
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 43.79
Rtb_to_modes> 106 vectors, with 1212 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00001 1.00000 1.00000
1.00000 1.00000 1.00001 1.00001 1.00003
0.99998 1.00000 1.00001 1.00000 1.00000
0.99999 0.99999 0.99999 1.00000 1.00002
1.00000 1.00000 1.00000 1.00000 1.00000
0.99998 0.99999 0.99998 1.00000 0.99999
1.00001 1.00000 1.00000 1.00000 0.99999
0.99999 1.00001 1.00001 1.00000 0.99999
1.00000 1.00001 1.00000 0.99999 0.99999
0.99998 1.00000 0.99999 1.00000 0.99997
1.00002 1.00002 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 0.99996 1.00000
1.00000 1.00000 1.00002 1.00000 0.99998
1.00001 0.99998 1.00001 1.00001 0.99999
0.99999 0.99999 0.99997 0.99999 1.00001
1.00000 1.00001 1.00002 1.00000 0.99999
1.00000 1.00000 1.00000 1.00001 0.99999
1.00000 1.00000 1.00000 1.00000 1.00000
1.00002 1.00003 1.00000 0.99999 1.00000
0.99999 0.99997 0.99999 0.99999 0.99999
1.00000 1.00000 0.99999 0.99999 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 170964 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00001 1.00000 1.00000
1.00000 1.00000 1.00001 1.00001 1.00003
0.99998 1.00000 1.00001 1.00000 1.00000
0.99999 0.99999 0.99999 1.00000 1.00002
1.00000 1.00000 1.00000 1.00000 1.00000
0.99998 0.99999 0.99998 1.00000 0.99999
1.00001 1.00000 1.00000 1.00000 0.99999
0.99999 1.00001 1.00001 1.00000 0.99999
1.00000 1.00001 1.00000 0.99999 0.99999
0.99998 1.00000 0.99999 1.00000 0.99997
1.00002 1.00002 1.00001 1.00000 0.99999
1.00001 1.00001 0.99999 0.99996 1.00000
1.00000 1.00000 1.00002 1.00000 0.99998
1.00001 0.99998 1.00001 1.00001 0.99999
0.99999 0.99999 0.99997 0.99999 1.00001
1.00000 1.00001 1.00002 1.00000 0.99999
1.00000 1.00000 1.00000 1.00001 0.99999
1.00000 1.00000 1.00000 1.00000 1.00000
1.00002 1.00003 1.00000 0.99999 1.00000
0.99999 0.99997 0.99999 0.99999 0.99999
1.00000 1.00000 0.99999 0.99999 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000-0.000
Vector 5:-0.000 0.000 0.000-0.000
Vector 6: 0.000-0.000-0.000-0.000-0.000
Vector 7: 0.000-0.000-0.000 0.000-0.000-0.000
Vector 8:-0.000-0.000 0.000 0.000-0.000 0.000 0.000
Vector 9:-0.000-0.000 0.000-0.000-0.000-0.000-0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000 0.000 0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404022142352098212.eigenfacs
Openam> file on opening on unit 10:
2404022142352098212.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404022142352098212.atom
Openam> file on opening on unit 11:
2404022142352098212.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 = 1192
First residue number = 27
Last residue number = 625
Number of atoms found = 9498
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9815E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-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: 3.6196E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.3912E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7108E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.803
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.552
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 8.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 11.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 12.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 17.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 18.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 18.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 21.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 23.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 23.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 24.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 26.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 26.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 27.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 27.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 28.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 29.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 29.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 29.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 30.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 31.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 32.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 32.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 33.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 33.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 33.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 34.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 34.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 34.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 35.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 36.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 38.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 38.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 39.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 39.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 39.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 40.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 41.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 41.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 42.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 43.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 43.79
Bfactors> 106 vectors, 28494 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 : 0.036196
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= 0.758 for 1192 C-alpha atoms.
Bfactors> = 0.169 +/- 0.15
Bfactors> = 53.565 +/- 22.24
Bfactors> Shiftng-fct= 53.396
Bfactors> Scaling-fct= 149.503
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404022142352098212 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=0
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=100
2404022142352098212.eigenfacs
2404022142352098212.atom
making animated gifs
11 models are in 2404022142352098212.7.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 2404022142352098212.7.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 2404022142352098212.7.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 2404022142352098212 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=0
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=100
2404022142352098212.eigenfacs
2404022142352098212.atom
making animated gifs
11 models are in 2404022142352098212.8.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 2404022142352098212.8.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 2404022142352098212.8.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 2404022142352098212 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=0
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=100
2404022142352098212.eigenfacs
2404022142352098212.atom
making animated gifs
11 models are in 2404022142352098212.9.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 2404022142352098212.9.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 2404022142352098212.9.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 2404022142352098212 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=0
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=100
2404022142352098212.eigenfacs
2404022142352098212.atom
making animated gifs
11 models are in 2404022142352098212.10.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 2404022142352098212.10.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 2404022142352098212.10.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 2404022142352098212 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=-20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=0
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=20
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=40
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=60
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=80
2404022142352098212.eigenfacs
2404022142352098212.atom
calculating perturbed structure for DQ=100
2404022142352098212.eigenfacs
2404022142352098212.atom
making animated gifs
11 models are in 2404022142352098212.11.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 2404022142352098212.11.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 2404022142352098212.11.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
2404022142352098212.10.pdb
2404022142352098212.11.pdb
2404022142352098212.7.pdb
2404022142352098212.8.pdb
2404022142352098212.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m52.148s
user 0m51.900s
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: 2404022142352098212.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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