*** ***
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 = 2404041415112325741.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 2404041415112325741.atom to be opened.
Openam> File opened: 2404041415112325741.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 = 496
First residue number = 6
Last residue number = 501
Number of atoms found = 3881
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 94.965678 +/- 14.194675 From: 69.408000 To: 133.121000
= 63.228426 +/- 14.283915 From: 27.960000 To: 99.264000
= 61.158581 +/- 15.686600 From: 8.910000 To: 97.350000
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 2.0625 % Filled.
Pdbmat> 1398063 non-zero elements.
Pdbmat> 152778 atom-atom interactions.
Pdbmat> Number per atom= 78.73 +/- 21.16
Maximum number = 122
Minimum number = 13
Pdbmat> Matrix trace = 3.055560E+06
Pdbmat> Larger element = 482.336
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
496 non-zero elements, NRBL set to 3
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 = 2404041415112325741.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2404041415112325741.atom to be opened.
Openam> file on opening on unit 11:
2404041415112325741.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3881 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 496 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 31 atoms in block 2
Block first atom: 24
Blocpdb> 24 atoms in block 3
Block first atom: 55
Blocpdb> 26 atoms in block 4
Block first atom: 79
Blocpdb> 23 atoms in block 5
Block first atom: 105
Blocpdb> 19 atoms in block 6
Block first atom: 128
Blocpdb> 24 atoms in block 7
Block first atom: 147
Blocpdb> 24 atoms in block 8
Block first atom: 171
Blocpdb> 25 atoms in block 9
Block first atom: 195
Blocpdb> 27 atoms in block 10
Block first atom: 220
Blocpdb> 25 atoms in block 11
Block first atom: 247
Blocpdb> 27 atoms in block 12
Block first atom: 272
Blocpdb> 30 atoms in block 13
Block first atom: 299
Blocpdb> 24 atoms in block 14
Block first atom: 329
Blocpdb> 27 atoms in block 15
Block first atom: 353
Blocpdb> 25 atoms in block 16
Block first atom: 380
Blocpdb> 21 atoms in block 17
Block first atom: 405
Blocpdb> 25 atoms in block 18
Block first atom: 426
Blocpdb> 20 atoms in block 19
Block first atom: 451
Blocpdb> 26 atoms in block 20
Block first atom: 471
Blocpdb> 30 atoms in block 21
Block first atom: 497
Blocpdb> 18 atoms in block 22
Block first atom: 527
Blocpdb> 30 atoms in block 23
Block first atom: 545
Blocpdb> 21 atoms in block 24
Block first atom: 575
Blocpdb> 28 atoms in block 25
Block first atom: 596
Blocpdb> 25 atoms in block 26
Block first atom: 624
Blocpdb> 30 atoms in block 27
Block first atom: 649
Blocpdb> 20 atoms in block 28
Block first atom: 679
Blocpdb> 17 atoms in block 29
Block first atom: 699
Blocpdb> 31 atoms in block 30
Block first atom: 716
Blocpdb> 21 atoms in block 31
Block first atom: 747
Blocpdb> 20 atoms in block 32
Block first atom: 768
Blocpdb> 24 atoms in block 33
Block first atom: 788
Blocpdb> 22 atoms in block 34
Block first atom: 812
Blocpdb> 19 atoms in block 35
Block first atom: 834
Blocpdb> 27 atoms in block 36
Block first atom: 853
Blocpdb> 20 atoms in block 37
Block first atom: 880
Blocpdb> 22 atoms in block 38
Block first atom: 900
Blocpdb> 25 atoms in block 39
Block first atom: 922
Blocpdb> 13 atoms in block 40
Block first atom: 947
Blocpdb> 18 atoms in block 41
Block first atom: 960
Blocpdb> 24 atoms in block 42
Block first atom: 978
Blocpdb> 24 atoms in block 43
Block first atom: 1002
Blocpdb> 27 atoms in block 44
Block first atom: 1026
Blocpdb> 25 atoms in block 45
Block first atom: 1053
Blocpdb> 26 atoms in block 46
Block first atom: 1078
Blocpdb> 26 atoms in block 47
Block first atom: 1104
Blocpdb> 29 atoms in block 48
Block first atom: 1130
Blocpdb> 25 atoms in block 49
Block first atom: 1159
Blocpdb> 23 atoms in block 50
Block first atom: 1184
Blocpdb> 23 atoms in block 51
Block first atom: 1207
Blocpdb> 15 atoms in block 52
Block first atom: 1230
Blocpdb> 22 atoms in block 53
Block first atom: 1245
Blocpdb> 19 atoms in block 54
Block first atom: 1267
Blocpdb> 22 atoms in block 55
Block first atom: 1286
Blocpdb> 20 atoms in block 56
Block first atom: 1308
Blocpdb> 28 atoms in block 57
Block first atom: 1328
Blocpdb> 28 atoms in block 58
Block first atom: 1356
Blocpdb> 20 atoms in block 59
Block first atom: 1384
Blocpdb> 23 atoms in block 60
Block first atom: 1404
Blocpdb> 19 atoms in block 61
Block first atom: 1427
Blocpdb> 30 atoms in block 62
Block first atom: 1446
Blocpdb> 21 atoms in block 63
Block first atom: 1476
Blocpdb> 21 atoms in block 64
Block first atom: 1497
Blocpdb> 18 atoms in block 65
Block first atom: 1518
Blocpdb> 24 atoms in block 66
Block first atom: 1536
Blocpdb> 19 atoms in block 67
Block first atom: 1560
Blocpdb> 22 atoms in block 68
Block first atom: 1579
Blocpdb> 23 atoms in block 69
Block first atom: 1601
Blocpdb> 18 atoms in block 70
Block first atom: 1624
Blocpdb> 19 atoms in block 71
Block first atom: 1642
Blocpdb> 28 atoms in block 72
Block first atom: 1661
Blocpdb> 21 atoms in block 73
Block first atom: 1689
Blocpdb> 27 atoms in block 74
Block first atom: 1710
Blocpdb> 22 atoms in block 75
Block first atom: 1737
Blocpdb> 26 atoms in block 76
Block first atom: 1759
Blocpdb> 22 atoms in block 77
Block first atom: 1785
Blocpdb> 19 atoms in block 78
Block first atom: 1807
Blocpdb> 22 atoms in block 79
Block first atom: 1826
Blocpdb> 21 atoms in block 80
Block first atom: 1848
Blocpdb> 25 atoms in block 81
Block first atom: 1869
Blocpdb> 20 atoms in block 82
Block first atom: 1894
Blocpdb> 23 atoms in block 83
Block first atom: 1914
Blocpdb> 19 atoms in block 84
Block first atom: 1937
Blocpdb> 24 atoms in block 85
Block first atom: 1956
Blocpdb> 31 atoms in block 86
Block first atom: 1980
Blocpdb> 32 atoms in block 87
Block first atom: 2011
Blocpdb> 18 atoms in block 88
Block first atom: 2043
Blocpdb> 21 atoms in block 89
Block first atom: 2061
Blocpdb> 20 atoms in block 90
Block first atom: 2082
Blocpdb> 18 atoms in block 91
Block first atom: 2102
Blocpdb> 28 atoms in block 92
Block first atom: 2120
Blocpdb> 23 atoms in block 93
Block first atom: 2148
Blocpdb> 20 atoms in block 94
Block first atom: 2171
Blocpdb> 25 atoms in block 95
Block first atom: 2191
Blocpdb> 25 atoms in block 96
Block first atom: 2216
Blocpdb> 28 atoms in block 97
Block first atom: 2241
Blocpdb> 23 atoms in block 98
Block first atom: 2269
Blocpdb> 23 atoms in block 99
Block first atom: 2292
Blocpdb> 22 atoms in block 100
Block first atom: 2315
Blocpdb> 23 atoms in block 101
Block first atom: 2337
Blocpdb> 29 atoms in block 102
Block first atom: 2360
Blocpdb> 18 atoms in block 103
Block first atom: 2389
Blocpdb> 24 atoms in block 104
Block first atom: 2407
Blocpdb> 22 atoms in block 105
Block first atom: 2431
Blocpdb> 24 atoms in block 106
Block first atom: 2453
Blocpdb> 17 atoms in block 107
Block first atom: 2477
Blocpdb> 24 atoms in block 108
Block first atom: 2494
Blocpdb> 24 atoms in block 109
Block first atom: 2518
Blocpdb> 23 atoms in block 110
Block first atom: 2542
Blocpdb> 23 atoms in block 111
Block first atom: 2565
Blocpdb> 21 atoms in block 112
Block first atom: 2588
Blocpdb> 25 atoms in block 113
Block first atom: 2609
Blocpdb> 18 atoms in block 114
Block first atom: 2634
Blocpdb> 17 atoms in block 115
Block first atom: 2652
Blocpdb> 21 atoms in block 116
Block first atom: 2669
Blocpdb> 21 atoms in block 117
Block first atom: 2690
Blocpdb> 25 atoms in block 118
Block first atom: 2711
Blocpdb> 28 atoms in block 119
Block first atom: 2736
Blocpdb> 27 atoms in block 120
Block first atom: 2764
Blocpdb> 23 atoms in block 121
Block first atom: 2791
Blocpdb> 23 atoms in block 122
Block first atom: 2814
Blocpdb> 28 atoms in block 123
Block first atom: 2837
Blocpdb> 13 atoms in block 124
Block first atom: 2865
Blocpdb> 21 atoms in block 125
Block first atom: 2878
Blocpdb> 29 atoms in block 126
Block first atom: 2899
Blocpdb> 31 atoms in block 127
Block first atom: 2928
Blocpdb> 24 atoms in block 128
Block first atom: 2959
Blocpdb> 25 atoms in block 129
Block first atom: 2983
Blocpdb> 22 atoms in block 130
Block first atom: 3008
Blocpdb> 26 atoms in block 131
Block first atom: 3030
Blocpdb> 32 atoms in block 132
Block first atom: 3056
Blocpdb> 28 atoms in block 133
Block first atom: 3088
Blocpdb> 26 atoms in block 134
Block first atom: 3116
Blocpdb> 26 atoms in block 135
Block first atom: 3142
Blocpdb> 21 atoms in block 136
Block first atom: 3168
Blocpdb> 24 atoms in block 137
Block first atom: 3189
Blocpdb> 28 atoms in block 138
Block first atom: 3213
Blocpdb> 24 atoms in block 139
Block first atom: 3241
Blocpdb> 23 atoms in block 140
Block first atom: 3265
Blocpdb> 19 atoms in block 141
Block first atom: 3288
Blocpdb> 22 atoms in block 142
Block first atom: 3307
Blocpdb> 19 atoms in block 143
Block first atom: 3329
Blocpdb> 29 atoms in block 144
Block first atom: 3348
Blocpdb> 27 atoms in block 145
Block first atom: 3377
Blocpdb> 15 atoms in block 146
Block first atom: 3404
Blocpdb> 24 atoms in block 147
Block first atom: 3419
Blocpdb> 23 atoms in block 148
Block first atom: 3443
Blocpdb> 20 atoms in block 149
Block first atom: 3466
Blocpdb> 25 atoms in block 150
Block first atom: 3486
Blocpdb> 24 atoms in block 151
Block first atom: 3511
Blocpdb> 22 atoms in block 152
Block first atom: 3535
Blocpdb> 28 atoms in block 153
Block first atom: 3557
Blocpdb> 26 atoms in block 154
Block first atom: 3585
Blocpdb> 22 atoms in block 155
Block first atom: 3611
Blocpdb> 28 atoms in block 156
Block first atom: 3633
Blocpdb> 20 atoms in block 157
Block first atom: 3661
Blocpdb> 26 atoms in block 158
Block first atom: 3681
Blocpdb> 22 atoms in block 159
Block first atom: 3707
Blocpdb> 20 atoms in block 160
Block first atom: 3729
Blocpdb> 26 atoms in block 161
Block first atom: 3749
Blocpdb> 29 atoms in block 162
Block first atom: 3775
Blocpdb> 27 atoms in block 163
Block first atom: 3804
Blocpdb> 18 atoms in block 164
Block first atom: 3831
Blocpdb> 25 atoms in block 165
Block first atom: 3849
Blocpdb> 8 atoms in block 166
Block first atom: 3873
Blocpdb> 166 blocks.
Blocpdb> At most, 32 atoms in each of them.
Blocpdb> At least, 8 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> 1398229 matrix lines read.
Prepmat> Matrix order = 11643
Prepmat> Matrix trace = 3055560.0000
Prepmat> Last element read: 11643 11643 94.0273
Prepmat> 13862 lines saved.
Prepmat> 12292 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: 3881
RTB> Total mass = 3881.0000
RTB> Number of atoms found in matrix: 3881
RTB> Number of blocks = 166
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 203763.0118
RTB> 53994 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 = 996
Diagstd> Nb of non-zero elements: 53994
Diagstd> Projected matrix trace = 203763.0118
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 996 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 203763.0118
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 0.0518635 0.1759611 0.4963805 0.9152367
1.2677187 1.5164808 1.7443308 2.0685389 2.3894997
2.4472928 2.7852011 3.1415622 3.7604796 4.2761280
5.1087335 6.0704654 6.3436133 6.8384267 7.6260610
7.9405008 7.9762100 8.8912681 9.2644101 9.5294342
10.5241418 11.0134006 11.3209105 11.9039681 12.3731026
14.0159954 14.1863793 14.7130771 15.4733584 16.6377123
16.9212340 17.6039894 17.7578691 18.7707532 19.7715410
20.6193996 21.4318067 22.0489659 22.3181751 22.8664455
23.5548763 24.1365570 24.9379996 25.3204986 25.7596182
26.1961709 27.5159921 27.5913937 28.2162407 28.4913017
29.2269329 29.3608046 29.7740970 30.1750805 31.0126450
31.2824865 32.2109852 32.8825001 33.1960484 33.5986311
34.5852835 34.7277899 34.9902665 35.5238412 36.7643897
37.0402170 37.7262636 38.0661480 38.7525320 39.1917665
39.5525800 39.6887993 40.6265144 40.9753238 41.0444729
41.3654626 42.4614086 42.7142547 43.6635084 43.9441763
44.6152954 44.8429341 45.7263391 46.1607150 46.9883278
47.2395246 47.8600678 47.9743656 48.7573397 48.8037299
49.4803412 50.0954672 50.3866365 50.9267307 52.3913135
52.5867453
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034321 0.0034338 0.0034344 0.0034348
0.0034358 24.7301154 45.5515954 76.5072593 103.8871911
122.2662875 133.7253505 143.4199936 156.1806160 167.8606001
169.8784346 181.2272748 192.4722447 210.5798922 224.5539139
245.4437081 267.5508127 273.5039666 283.9705992 299.8785604
305.9984509 306.6857308 323.8002149 330.5248867 335.2191639
352.2805168 360.3761145 365.3725861 374.6633028 381.9746903
406.5437167 409.0073046 416.5307181 427.1570437 442.9371281
446.6952099 455.6179538 457.6049416 470.4745440 482.8536742
493.0980530 502.7182734 509.9051434 513.0085708 519.2716472
527.0304335 533.4981776 542.2831217 546.4260641 551.1438826
555.7944269 569.6234610 570.4033915 576.8260378 579.6307616
587.0659633 588.4089323 592.5357799 596.5124314 604.7344140
607.3596183 616.3072608 622.6983222 625.6601221 629.4425127
638.6176987 639.9320370 642.3458245 647.2249349 658.4290150
660.8943537 666.9867058 669.9844856 675.9978612 679.8180634
682.9402181 684.1152324 692.1497426 695.1147074 695.7009902
698.4160690 707.6075843 709.7112616 717.5540078 719.8565228
725.3325490 727.1806114 734.3084005 737.7879261 744.3724228
746.3594561 751.2455888 752.1421036 758.2549972 758.6156322
763.8562265 768.5895865 770.8199826 774.9401789 786.0043028
787.4689283
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3881
Rtb_to_modes> Number of blocs = 166
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: 9.9880E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9891E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.1863E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1760
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4964
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.9152
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.268
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.516
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.744
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.069
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.389
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.447
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.785
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.142
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.760
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.276
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.109
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 6.070
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.344
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.838
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.626
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 7.941
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.976
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 8.891
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 9.264
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 9.529
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 11.01
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 11.32
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 11.90
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.02
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 14.19
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 14.71
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 15.47
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 16.64
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 16.92
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 17.60
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 17.76
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 19.77
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 20.62
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 21.43
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 22.05
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 22.32
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 22.87
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 23.55
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 24.14
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 24.94
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 25.32
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 25.76
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 26.20
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.52
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 27.59
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 28.22
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 28.49
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 29.36
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 29.77
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 30.18
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 31.01
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 31.28
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 32.21
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 32.88
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 33.20
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 33.60
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 34.59
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 34.73
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 34.99
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 35.52
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 36.76
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 37.04
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 37.73
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 38.75
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 39.19
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 39.55
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 39.69
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 40.63
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 40.98
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 41.04
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 41.37
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.46
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 42.71
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 43.66
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 43.94
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 44.62
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 44.84
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 45.73
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 46.16
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 46.99
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 47.24
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 47.86
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 47.97
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 48.76
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 48.80
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 49.48
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 50.10
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 50.39
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 50.93
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 52.39
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 52.59
Rtb_to_modes> 106 vectors, with 996 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
0.99999 0.99997 1.00001 0.99999 1.00001
1.00001 1.00003 0.99997 1.00001 0.99999
0.99994 1.00000 1.00004 0.99999 1.00000
0.99998 1.00003 1.00000 0.99999 1.00003
1.00001 1.00000 1.00002 0.99997 0.99999
1.00001 1.00002 1.00001 1.00001 0.99999
0.99998 0.99999 0.99999 1.00000 0.99998
1.00003 0.99999 1.00001 1.00001 0.99997
0.99999 1.00002 0.99999 1.00003 1.00000
1.00000 1.00000 1.00001 0.99999 1.00000
0.99998 1.00002 1.00000 0.99998 1.00000
1.00000 1.00002 0.99999 0.99999 0.99998
1.00000 1.00001 1.00001 1.00003 1.00000
1.00001 1.00003 1.00000 1.00002 0.99999
0.99999 1.00000 1.00002 1.00000 0.99997
0.99999 0.99998 1.00001 0.99998 0.99999
0.99998 0.99999 1.00002 0.99999 0.99997
1.00004 0.99999 1.00000 0.99999 1.00000
1.00001 1.00003 1.00000 1.00001 1.00001
1.00002 1.00000 1.00002 1.00001 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 69858 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
0.99999 0.99997 1.00001 0.99999 1.00001
1.00001 1.00003 0.99997 1.00001 0.99999
0.99994 1.00000 1.00004 0.99999 1.00000
0.99998 1.00003 1.00000 0.99999 1.00003
1.00001 1.00000 1.00002 0.99997 0.99999
1.00001 1.00002 1.00001 1.00001 0.99999
0.99998 0.99999 0.99999 1.00000 0.99998
1.00003 0.99999 1.00001 1.00001 0.99997
0.99999 1.00002 0.99999 1.00003 1.00000
1.00000 1.00000 1.00001 0.99999 1.00000
0.99998 1.00002 1.00000 0.99998 1.00000
1.00000 1.00002 0.99999 0.99999 0.99998
1.00000 1.00001 1.00001 1.00003 1.00000
1.00001 1.00003 1.00000 1.00002 0.99999
0.99999 1.00000 1.00002 1.00000 0.99997
0.99999 0.99998 1.00001 0.99998 0.99999
0.99998 0.99999 1.00002 0.99999 0.99997
1.00004 0.99999 1.00000 0.99999 1.00000
1.00001 1.00003 1.00000 1.00001 1.00001
1.00002 1.00000 1.00002 1.00001 1.00001
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> 2404041415112325741.eigenfacs
Openam> file on opening on unit 10:
2404041415112325741.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404041415112325741.atom
Openam> file on opening on unit 11:
2404041415112325741.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 = 496
First residue number = 6
Last residue number = 501
Number of atoms found = 3881
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9880E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9891E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.1863E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 6.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 7.941
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 8.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 9.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 11.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 14.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 14.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 15.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 16.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 16.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 19.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 20.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 22.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 22.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 23.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 24.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 24.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 25.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 25.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 26.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 27.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 28.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 28.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 29.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 29.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 30.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 31.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 31.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 32.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 32.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 33.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 33.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 34.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 34.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 34.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 35.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 36.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 37.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 37.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 38.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 39.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 39.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 39.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 40.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 40.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 41.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 41.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 42.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 43.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 43.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 44.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 44.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 45.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 46.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 46.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 47.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 47.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 47.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 48.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 48.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 49.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 50.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 50.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 50.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 52.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 52.59
Bfactors> 106 vectors, 11643 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 : 0.051863
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.136 +/- 0.35
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.136
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404041415112325741 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=0
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=100
2404041415112325741.eigenfacs
2404041415112325741.atom
making animated gifs
11 models are in 2404041415112325741.7.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 2404041415112325741.7.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 2404041415112325741.7.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 2404041415112325741 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=0
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=100
2404041415112325741.eigenfacs
2404041415112325741.atom
making animated gifs
11 models are in 2404041415112325741.8.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 2404041415112325741.8.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 2404041415112325741.8.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 2404041415112325741 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=0
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=100
2404041415112325741.eigenfacs
2404041415112325741.atom
making animated gifs
11 models are in 2404041415112325741.9.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 2404041415112325741.9.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 2404041415112325741.9.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 2404041415112325741 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=0
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=100
2404041415112325741.eigenfacs
2404041415112325741.atom
making animated gifs
11 models are in 2404041415112325741.10.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 2404041415112325741.10.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 2404041415112325741.10.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 2404041415112325741 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=-20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=0
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=20
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=40
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=60
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=80
2404041415112325741.eigenfacs
2404041415112325741.atom
calculating perturbed structure for DQ=100
2404041415112325741.eigenfacs
2404041415112325741.atom
making animated gifs
11 models are in 2404041415112325741.11.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 2404041415112325741.11.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 2404041415112325741.11.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
2404041415112325741.10.pdb
2404041415112325741.11.pdb
2404041415112325741.7.pdb
2404041415112325741.8.pdb
2404041415112325741.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m19.080s
user 0m19.036s
sys 0m0.044s
../../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: 2404041415112325741.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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