*** UNKNOWN FUNCTION 20-APR-04 1T2B ***
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 = 2402091241452089964.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 2402091241452089964.atom to be opened.
Openam> File opened: 2402091241452089964.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 = 794
First residue number = 8
Last residue number = 404
Number of atoms found = 6298
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 18.707454 +/- 14.592858 From: -16.423000 To: 59.807000
= 16.723233 +/- 21.431619 From: -33.301000 To: 66.789000
= 30.214627 +/- 17.556718 From: -10.564000 To: 75.603000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.3635 % Filled.
Pdbmat> 2433903 non-zero elements.
Pdbmat> 266285 atom-atom interactions.
Pdbmat> Number per atom= 84.56 +/- 21.55
Maximum number = 132
Minimum number = 12
Pdbmat> Matrix trace = 5.325700E+06
Pdbmat> Larger element = 509.661
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
794 non-zero elements, NRBL set to 4
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 = 2402091241452089964.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2402091241452089964.atom to be opened.
Openam> file on opening on unit 11:
2402091241452089964.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6298 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 794 residues.
Blocpdb> 32 atoms in block 1
Block first atom: 1
Blocpdb> 27 atoms in block 2
Block first atom: 33
Blocpdb> 39 atoms in block 3
Block first atom: 60
Blocpdb> 26 atoms in block 4
Block first atom: 99
Blocpdb> 26 atoms in block 5
Block first atom: 125
Blocpdb> 37 atoms in block 6
Block first atom: 151
Blocpdb> 33 atoms in block 7
Block first atom: 188
Blocpdb> 31 atoms in block 8
Block first atom: 221
Blocpdb> 29 atoms in block 9
Block first atom: 252
Blocpdb> 33 atoms in block 10
Block first atom: 281
Blocpdb> 25 atoms in block 11
Block first atom: 314
Blocpdb> 38 atoms in block 12
Block first atom: 339
Blocpdb> 30 atoms in block 13
Block first atom: 377
Blocpdb> 31 atoms in block 14
Block first atom: 407
Blocpdb> 32 atoms in block 15
Block first atom: 438
Blocpdb> 32 atoms in block 16
Block first atom: 470
Blocpdb> 27 atoms in block 17
Block first atom: 502
Blocpdb> 32 atoms in block 18
Block first atom: 529
Blocpdb> 39 atoms in block 19
Block first atom: 561
Blocpdb> 33 atoms in block 20
Block first atom: 600
Blocpdb> 29 atoms in block 21
Block first atom: 633
Blocpdb> 29 atoms in block 22
Block first atom: 662
Blocpdb> 33 atoms in block 23
Block first atom: 691
Blocpdb> 41 atoms in block 24
Block first atom: 724
Blocpdb> 29 atoms in block 25
Block first atom: 765
Blocpdb> 31 atoms in block 26
Block first atom: 794
Blocpdb> 29 atoms in block 27
Block first atom: 825
Blocpdb> 35 atoms in block 28
Block first atom: 854
Blocpdb> 37 atoms in block 29
Block first atom: 889
Blocpdb> 29 atoms in block 30
Block first atom: 926
Blocpdb> 29 atoms in block 31
Block first atom: 955
Blocpdb> 36 atoms in block 32
Block first atom: 984
Blocpdb> 25 atoms in block 33
Block first atom: 1020
Blocpdb> 31 atoms in block 34
Block first atom: 1045
Blocpdb> 30 atoms in block 35
Block first atom: 1076
Blocpdb> 31 atoms in block 36
Block first atom: 1106
Blocpdb> 28 atoms in block 37
Block first atom: 1137
Blocpdb> 28 atoms in block 38
Block first atom: 1165
Blocpdb> 31 atoms in block 39
Block first atom: 1193
Blocpdb> 31 atoms in block 40
Block first atom: 1224
Blocpdb> 43 atoms in block 41
Block first atom: 1255
Blocpdb> 34 atoms in block 42
Block first atom: 1298
Blocpdb> 34 atoms in block 43
Block first atom: 1332
Blocpdb> 29 atoms in block 44
Block first atom: 1366
Blocpdb> 33 atoms in block 45
Block first atom: 1395
Blocpdb> 29 atoms in block 46
Block first atom: 1428
Blocpdb> 31 atoms in block 47
Block first atom: 1457
Blocpdb> 28 atoms in block 48
Block first atom: 1488
Blocpdb> 38 atoms in block 49
Block first atom: 1516
Blocpdb> 27 atoms in block 50
Block first atom: 1554
Blocpdb> 30 atoms in block 51
Block first atom: 1581
Blocpdb> 34 atoms in block 52
Block first atom: 1611
Blocpdb> 31 atoms in block 53
Block first atom: 1645
Blocpdb> 27 atoms in block 54
Block first atom: 1676
Blocpdb> 31 atoms in block 55
Block first atom: 1703
Blocpdb> 31 atoms in block 56
Block first atom: 1734
Blocpdb> 34 atoms in block 57
Block first atom: 1765
Blocpdb> 24 atoms in block 58
Block first atom: 1799
Blocpdb> 31 atoms in block 59
Block first atom: 1823
Blocpdb> 35 atoms in block 60
Block first atom: 1854
Blocpdb> 30 atoms in block 61
Block first atom: 1889
Blocpdb> 38 atoms in block 62
Block first atom: 1919
Blocpdb> 39 atoms in block 63
Block first atom: 1957
Blocpdb> 41 atoms in block 64
Block first atom: 1996
Blocpdb> 31 atoms in block 65
Block first atom: 2037
Blocpdb> 32 atoms in block 66
Block first atom: 2068
Blocpdb> 27 atoms in block 67
Block first atom: 2100
Blocpdb> 33 atoms in block 68
Block first atom: 2127
Blocpdb> 38 atoms in block 69
Block first atom: 2160
Blocpdb> 27 atoms in block 70
Block first atom: 2198
Blocpdb> 30 atoms in block 71
Block first atom: 2225
Blocpdb> 32 atoms in block 72
Block first atom: 2255
Blocpdb> 26 atoms in block 73
Block first atom: 2287
Blocpdb> 32 atoms in block 74
Block first atom: 2313
Blocpdb> 27 atoms in block 75
Block first atom: 2345
Blocpdb> 35 atoms in block 76
Block first atom: 2372
Blocpdb> 31 atoms in block 77
Block first atom: 2407
Blocpdb> 36 atoms in block 78
Block first atom: 2438
Blocpdb> 30 atoms in block 79
Block first atom: 2474
Blocpdb> 29 atoms in block 80
Block first atom: 2504
Blocpdb> 32 atoms in block 81
Block first atom: 2533
Blocpdb> 33 atoms in block 82
Block first atom: 2565
Blocpdb> 35 atoms in block 83
Block first atom: 2598
Blocpdb> 26 atoms in block 84
Block first atom: 2633
Blocpdb> 35 atoms in block 85
Block first atom: 2659
Blocpdb> 27 atoms in block 86
Block first atom: 2694
Blocpdb> 34 atoms in block 87
Block first atom: 2721
Blocpdb> 32 atoms in block 88
Block first atom: 2755
Blocpdb> 29 atoms in block 89
Block first atom: 2787
Blocpdb> 39 atoms in block 90
Block first atom: 2816
Blocpdb> 35 atoms in block 91
Block first atom: 2855
Blocpdb> 29 atoms in block 92
Block first atom: 2890
Blocpdb> 32 atoms in block 93
Block first atom: 2919
Blocpdb> 39 atoms in block 94
Block first atom: 2951
Blocpdb> 25 atoms in block 95
Block first atom: 2990
Blocpdb> 30 atoms in block 96
Block first atom: 3015
Blocpdb> 30 atoms in block 97
Block first atom: 3045
Blocpdb> 31 atoms in block 98
Block first atom: 3075
Blocpdb> 34 atoms in block 99
Block first atom: 3106
Blocpdb> 10 atoms in block 100
Block first atom: 3140
Blocpdb> 32 atoms in block 101
Block first atom: 3150
Blocpdb> 27 atoms in block 102
Block first atom: 3182
Blocpdb> 39 atoms in block 103
Block first atom: 3209
Blocpdb> 26 atoms in block 104
Block first atom: 3248
Blocpdb> 26 atoms in block 105
Block first atom: 3274
Blocpdb> 37 atoms in block 106
Block first atom: 3300
Blocpdb> 33 atoms in block 107
Block first atom: 3337
Blocpdb> 31 atoms in block 108
Block first atom: 3370
Blocpdb> 29 atoms in block 109
Block first atom: 3401
Blocpdb> 33 atoms in block 110
Block first atom: 3430
Blocpdb> 25 atoms in block 111
Block first atom: 3463
Blocpdb> 38 atoms in block 112
Block first atom: 3488
Blocpdb> 30 atoms in block 113
Block first atom: 3526
Blocpdb> 31 atoms in block 114
Block first atom: 3556
Blocpdb> 32 atoms in block 115
Block first atom: 3587
Blocpdb> 32 atoms in block 116
Block first atom: 3619
Blocpdb> 27 atoms in block 117
Block first atom: 3651
Blocpdb> 32 atoms in block 118
Block first atom: 3678
Blocpdb> 39 atoms in block 119
Block first atom: 3710
Blocpdb> 33 atoms in block 120
Block first atom: 3749
Blocpdb> 29 atoms in block 121
Block first atom: 3782
Blocpdb> 29 atoms in block 122
Block first atom: 3811
Blocpdb> 33 atoms in block 123
Block first atom: 3840
Blocpdb> 41 atoms in block 124
Block first atom: 3873
Blocpdb> 29 atoms in block 125
Block first atom: 3914
Blocpdb> 31 atoms in block 126
Block first atom: 3943
Blocpdb> 29 atoms in block 127
Block first atom: 3974
Blocpdb> 35 atoms in block 128
Block first atom: 4003
Blocpdb> 37 atoms in block 129
Block first atom: 4038
Blocpdb> 29 atoms in block 130
Block first atom: 4075
Blocpdb> 29 atoms in block 131
Block first atom: 4104
Blocpdb> 36 atoms in block 132
Block first atom: 4133
Blocpdb> 25 atoms in block 133
Block first atom: 4169
Blocpdb> 31 atoms in block 134
Block first atom: 4194
Blocpdb> 30 atoms in block 135
Block first atom: 4225
Blocpdb> 31 atoms in block 136
Block first atom: 4255
Blocpdb> 28 atoms in block 137
Block first atom: 4286
Blocpdb> 28 atoms in block 138
Block first atom: 4314
Blocpdb> 31 atoms in block 139
Block first atom: 4342
Blocpdb> 31 atoms in block 140
Block first atom: 4373
Blocpdb> 43 atoms in block 141
Block first atom: 4404
Blocpdb> 34 atoms in block 142
Block first atom: 4447
Blocpdb> 34 atoms in block 143
Block first atom: 4481
Blocpdb> 29 atoms in block 144
Block first atom: 4515
Blocpdb> 33 atoms in block 145
Block first atom: 4544
Blocpdb> 29 atoms in block 146
Block first atom: 4577
Blocpdb> 31 atoms in block 147
Block first atom: 4606
Blocpdb> 28 atoms in block 148
Block first atom: 4637
Blocpdb> 38 atoms in block 149
Block first atom: 4665
Blocpdb> 27 atoms in block 150
Block first atom: 4703
Blocpdb> 30 atoms in block 151
Block first atom: 4730
Blocpdb> 34 atoms in block 152
Block first atom: 4760
Blocpdb> 31 atoms in block 153
Block first atom: 4794
Blocpdb> 27 atoms in block 154
Block first atom: 4825
Blocpdb> 31 atoms in block 155
Block first atom: 4852
Blocpdb> 31 atoms in block 156
Block first atom: 4883
Blocpdb> 34 atoms in block 157
Block first atom: 4914
Blocpdb> 24 atoms in block 158
Block first atom: 4948
Blocpdb> 31 atoms in block 159
Block first atom: 4972
Blocpdb> 35 atoms in block 160
Block first atom: 5003
Blocpdb> 30 atoms in block 161
Block first atom: 5038
Blocpdb> 38 atoms in block 162
Block first atom: 5068
Blocpdb> 39 atoms in block 163
Block first atom: 5106
Blocpdb> 41 atoms in block 164
Block first atom: 5145
Blocpdb> 31 atoms in block 165
Block first atom: 5186
Blocpdb> 32 atoms in block 166
Block first atom: 5217
Blocpdb> 27 atoms in block 167
Block first atom: 5249
Blocpdb> 33 atoms in block 168
Block first atom: 5276
Blocpdb> 38 atoms in block 169
Block first atom: 5309
Blocpdb> 27 atoms in block 170
Block first atom: 5347
Blocpdb> 30 atoms in block 171
Block first atom: 5374
Blocpdb> 32 atoms in block 172
Block first atom: 5404
Blocpdb> 26 atoms in block 173
Block first atom: 5436
Blocpdb> 32 atoms in block 174
Block first atom: 5462
Blocpdb> 27 atoms in block 175
Block first atom: 5494
Blocpdb> 35 atoms in block 176
Block first atom: 5521
Blocpdb> 31 atoms in block 177
Block first atom: 5556
Blocpdb> 36 atoms in block 178
Block first atom: 5587
Blocpdb> 30 atoms in block 179
Block first atom: 5623
Blocpdb> 29 atoms in block 180
Block first atom: 5653
Blocpdb> 32 atoms in block 181
Block first atom: 5682
Blocpdb> 33 atoms in block 182
Block first atom: 5714
Blocpdb> 35 atoms in block 183
Block first atom: 5747
Blocpdb> 26 atoms in block 184
Block first atom: 5782
Blocpdb> 35 atoms in block 185
Block first atom: 5808
Blocpdb> 27 atoms in block 186
Block first atom: 5843
Blocpdb> 34 atoms in block 187
Block first atom: 5870
Blocpdb> 32 atoms in block 188
Block first atom: 5904
Blocpdb> 29 atoms in block 189
Block first atom: 5936
Blocpdb> 39 atoms in block 190
Block first atom: 5965
Blocpdb> 35 atoms in block 191
Block first atom: 6004
Blocpdb> 29 atoms in block 192
Block first atom: 6039
Blocpdb> 32 atoms in block 193
Block first atom: 6068
Blocpdb> 39 atoms in block 194
Block first atom: 6100
Blocpdb> 25 atoms in block 195
Block first atom: 6139
Blocpdb> 30 atoms in block 196
Block first atom: 6164
Blocpdb> 30 atoms in block 197
Block first atom: 6194
Blocpdb> 31 atoms in block 198
Block first atom: 6224
Blocpdb> 34 atoms in block 199
Block first atom: 6255
Blocpdb> 10 atoms in block 200
Block first atom: 6288
Blocpdb> 200 blocks.
Blocpdb> At most, 43 atoms in each of them.
Blocpdb> At least, 10 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> 2434103 matrix lines read.
Prepmat> Matrix order = 18894
Prepmat> Matrix trace = 5325700.0000
Prepmat> Last element read: 18894 18894 124.6549
Prepmat> 20101 lines saved.
Prepmat> 18152 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: 6298
RTB> Total mass = 6298.0000
RTB> Number of atoms found in matrix: 6298
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 248323.9146
RTB> 67128 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 = 1200
Diagstd> Nb of non-zero elements: 67128
Diagstd> Projected matrix trace = 248323.9146
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1200 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 248323.9146
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 0.5829359 0.6438771 0.7960045 2.5744214
3.0613638 3.3505146 5.1125550 5.7251359 6.0870463
6.1025632 7.4549153 7.6463364 7.6644848 8.3693195
8.5010002 8.7847360 10.2587102 10.4420058 10.8410117
11.3427049 11.4517943 12.9285535 13.8529202 14.5900723
15.2690690 15.3956200 15.8970194 16.4445652 16.6131177
17.0702219 17.4869169 17.7034715 18.4980451 19.3561386
19.6044549 19.9020579 20.4586921 20.7330482 21.1790633
21.7512065 22.2328142 22.6349778 23.6336975 23.9612884
24.9179456 25.2659820 25.9897173 26.2303010 26.9586814
27.2986004 27.5005951 27.7553817 27.8935268 28.4387473
28.6968686 28.9344596 30.2931351 30.6007539 31.1941272
31.5936957 32.1351559 32.6032909 33.1096389 33.2512420
34.0598204 34.9428060 34.9713293 35.6324245 36.2351092
36.7196634 36.9262976 37.3066667 37.6024760 37.9624044
38.4768104 38.6250831 38.9294707 39.4096715 39.5332160
40.2232896 40.8089379 41.4546807 42.1863748 42.6185992
42.7548501 43.1051091 43.4703714 43.5837603 43.9479560
44.2082009 44.5789699 45.1209626 45.6513774 46.1566612
46.2261530 46.7233100 46.9370086 47.3138855 47.6790066
48.1635594
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034313 0.0034329 0.0034332 0.0034333 0.0034338
0.0034350 82.9097625 87.1358273 96.8842163 174.2348776
189.9996285 198.7700930 245.5354920 259.8293342 267.9159582
268.2572224 296.4944959 300.2769394 300.6330778 314.1523791
316.6141301 321.8545382 347.8096772 350.9031333 357.5445708
365.7241139 367.4785970 390.4543348 404.1717416 414.7859171
424.3278716 426.0826709 432.9653414 440.3585956 442.6096226
448.6574291 454.1004202 456.9035148 467.0444304 477.7543411
480.8090858 484.4447709 491.1726924 494.4550982 499.7452260
506.4504441 512.0265725 516.6367751 527.9114920 531.5576382
542.0650380 545.8375026 553.5999703 556.1563716 563.8253571
567.3688279 569.4640677 572.0959618 573.5179234 579.0959282
581.7180433 584.1211989 597.6781666 600.7051336 606.5012491
610.3732545 615.5813957 620.0489830 624.8452930 626.1800349
633.7477891 641.9100402 642.1719782 648.2133444 653.6722787
658.0283818 659.8772610 663.2671740 665.8915462 669.0708915
673.5887293 674.8853391 677.5393600 681.7053272 682.7730223
688.7063273 693.7019672 699.1688446 705.3121795 708.9161424
710.0484345 712.9509543 715.9652691 716.8984292 719.8874805
722.0157990 725.0372080 729.4314061 733.7062576 737.7555298
738.3106898 742.2702957 743.9658218 746.9466567 749.8232098
753.6237348
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6298
Rtb_to_modes> Number of blocs = 200
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: 9.9843E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9940E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.5829
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.6439
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.7960
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.574
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.061
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.351
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.113
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.725
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.087
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.103
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.455
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.646
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.664
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 8.369
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.501
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.785
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 10.44
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 10.84
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.45
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.93
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.85
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.59
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.27
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 15.90
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.44
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.61
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 17.07
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 17.49
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.70
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.50
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 19.36
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 19.60
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 19.90
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 20.46
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 21.18
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 21.75
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 22.23
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 22.63
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 23.63
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 23.96
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 24.92
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 25.27
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 25.99
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 26.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 26.96
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 27.30
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.50
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 27.76
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 27.89
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 28.44
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 28.70
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 28.93
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 30.29
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 30.60
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 31.19
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 31.59
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.14
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 32.60
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.11
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 33.25
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.06
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 34.94
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 34.97
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 35.63
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 36.24
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 36.72
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 36.93
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 37.31
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 37.60
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 37.96
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 38.48
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 38.63
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 38.93
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 39.41
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 39.53
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 40.22
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 40.81
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 41.45
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 42.19
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 42.75
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 43.11
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 43.47
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 43.58
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 43.95
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 44.21
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 44.58
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 45.12
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 45.65
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 46.16
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 46.23
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 46.72
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 46.94
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 47.31
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 47.68
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 48.16
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00003 1.00000 1.00002
1.00000 1.00000 1.00001 1.00000 1.00000
1.00002 0.99999 1.00000 1.00000 1.00000
1.00000 1.00000 1.00003 1.00002 1.00000
0.99998 0.99998 1.00001 1.00001 1.00002
1.00000 0.99996 1.00002 1.00002 0.99998
0.99998 0.99999 1.00000 0.99999 1.00000
0.99997 0.99999 1.00002 1.00000 1.00004
0.99997 1.00001 1.00002 0.99996 1.00001
1.00000 1.00000 1.00002 1.00000 0.99999
1.00000 1.00000 0.99999 0.99997 1.00002
1.00000 0.99999 1.00000 0.99999 0.99998
0.99999 0.99998 1.00001 1.00000 1.00001
1.00000 0.99999 1.00002 1.00000 1.00002
0.99999 1.00001 0.99996 0.99999 1.00000
1.00000 1.00001 1.00000 1.00001 0.99999
1.00000 1.00000 1.00002 1.00003 1.00000
0.99999 1.00001 1.00001 1.00001 1.00002
1.00005 1.00001 1.00001 0.99999 1.00000
0.99998 1.00002 0.99998 0.99999 1.00000
1.00001 1.00001 1.00001 0.99997 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 113364 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00003 1.00000 1.00002
1.00000 1.00000 1.00001 1.00000 1.00000
1.00002 0.99999 1.00000 1.00000 1.00000
1.00000 1.00000 1.00003 1.00002 1.00000
0.99998 0.99998 1.00001 1.00001 1.00002
1.00000 0.99996 1.00002 1.00002 0.99998
0.99998 0.99999 1.00000 0.99999 1.00000
0.99997 0.99999 1.00002 1.00000 1.00004
0.99997 1.00001 1.00002 0.99996 1.00001
1.00000 1.00000 1.00002 1.00000 0.99999
1.00000 1.00000 0.99999 0.99997 1.00002
1.00000 0.99999 1.00000 0.99999 0.99998
0.99999 0.99998 1.00001 1.00000 1.00001
1.00000 0.99999 1.00002 1.00000 1.00002
0.99999 1.00001 0.99996 0.99999 1.00000
1.00000 1.00001 1.00000 1.00001 0.99999
1.00000 1.00000 1.00002 1.00003 1.00000
0.99999 1.00001 1.00001 1.00001 1.00002
1.00005 1.00001 1.00001 0.99999 1.00000
0.99998 1.00002 0.99998 0.99999 1.00000
1.00001 1.00001 1.00001 0.99997 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000-0.000
Vector 5: 0.000 0.000 0.000 0.000
Vector 6:-0.000 0.000-0.000-0.000-0.000
Vector 7: 0.000-0.000-0.000 0.000 0.000 0.000
Vector 8:-0.000-0.000-0.000-0.000 0.000 0.000 0.000
Vector 9:-0.000-0.000 0.000-0.000 0.000-0.000 0.000 0.000
Vector 10: 0.000 0.000-0.000 0.000-0.000-0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402091241452089964.eigenfacs
Openam> file on opening on unit 10:
2402091241452089964.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402091241452089964.atom
Openam> file on opening on unit 11:
2402091241452089964.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 = 794
First residue number = 8
Last residue number = 404
Number of atoms found = 6298
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9843E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.646
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 8.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 10.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 17.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 17.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 19.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 19.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 21.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 22.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 22.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 23.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 23.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 24.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 25.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 25.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 26.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 26.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 27.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 27.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 27.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 28.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 28.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 28.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 30.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 30.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 31.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 31.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 32.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 33.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 34.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 34.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 35.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 36.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 36.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 36.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 37.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 37.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 37.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 38.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 38.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 38.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 39.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 39.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 40.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 40.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 41.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 42.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 42.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 43.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 43.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 43.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 43.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 44.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 44.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 45.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 45.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 46.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 46.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 46.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 46.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 47.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 47.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 48.16
Bfactors> 106 vectors, 18894 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 : 0.582900
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= 0.808 for 794 C-alpha atoms.
Bfactors> = 0.024 +/- 0.02
Bfactors> = 18.624 +/- 6.72
Bfactors> Shiftng-fct= 18.600
Bfactors> Scaling-fct= 355.622
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402091241452089964 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=0
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=100
2402091241452089964.eigenfacs
2402091241452089964.atom
making animated gifs
11 models are in 2402091241452089964.7.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 2402091241452089964.7.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 2402091241452089964.7.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 2402091241452089964 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=0
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=100
2402091241452089964.eigenfacs
2402091241452089964.atom
making animated gifs
11 models are in 2402091241452089964.8.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 2402091241452089964.8.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 2402091241452089964.8.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 2402091241452089964 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=0
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=100
2402091241452089964.eigenfacs
2402091241452089964.atom
making animated gifs
11 models are in 2402091241452089964.9.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 2402091241452089964.9.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 2402091241452089964.9.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 2402091241452089964 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=0
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=100
2402091241452089964.eigenfacs
2402091241452089964.atom
making animated gifs
11 models are in 2402091241452089964.10.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 2402091241452089964.10.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 2402091241452089964.10.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 2402091241452089964 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=-20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=0
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=20
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=40
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=60
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=80
2402091241452089964.eigenfacs
2402091241452089964.atom
calculating perturbed structure for DQ=100
2402091241452089964.eigenfacs
2402091241452089964.atom
making animated gifs
11 models are in 2402091241452089964.11.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 2402091241452089964.11.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 2402091241452089964.11.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
2402091241452089964.10.pdb
2402091241452089964.11.pdb
2402091241452089964.7.pdb
2402091241452089964.8.pdb
2402091241452089964.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m36.828s
user 0m36.720s
sys 0m0.108s
../../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: 2402091241452089964.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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