*** ***
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 = 240220112236181025.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 240220112236181025.atom to be opened.
Openam> File opened: 240220112236181025.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 = 555
First residue number = 451
Last residue number = 1541
Number of atoms found = 4163
Mean number per residue = 7.5
Pdbmat> Coordinate statistics:
= -20.839510 +/- 18.317951 From: -57.804000 To: 26.379000
= -15.483587 +/- 10.301004 From: -46.889000 To: 10.577000
= -0.451196 +/- 26.082599 From: -59.459000 To: 53.472000
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 1.9071 % Filled.
Pdbmat> 1487430 non-zero elements.
Pdbmat> 162518 atom-atom interactions.
Pdbmat> Number per atom= 78.08 +/- 20.13
Maximum number = 121
Minimum number = 13
Pdbmat> Matrix trace = 3.250360E+06
Pdbmat> Larger element = 499.667
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
555 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 = 240220112236181025.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 240220112236181025.atom to be opened.
Openam> file on opening on unit 11:
240220112236181025.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4163 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> 555 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 19 atoms in block 2
Block first atom: 18
Blocpdb> 17 atoms in block 3
Block first atom: 37
Blocpdb> 23 atoms in block 4
Block first atom: 54
Blocpdb> 20 atoms in block 5
Block first atom: 77
Blocpdb> 29 atoms in block 6
Block first atom: 97
Blocpdb> 24 atoms in block 7
Block first atom: 126
Blocpdb> 24 atoms in block 8
Block first atom: 150
Blocpdb> 19 atoms in block 9
Block first atom: 174
Blocpdb> 24 atoms in block 10
Block first atom: 193
Blocpdb> 23 atoms in block 11
Block first atom: 217
Blocpdb> 25 atoms in block 12
Block first atom: 240
Blocpdb> 28 atoms in block 13
Block first atom: 265
Blocpdb> 25 atoms in block 14
Block first atom: 293
Blocpdb> 25 atoms in block 15
Block first atom: 318
Blocpdb> 21 atoms in block 16
Block first atom: 343
Blocpdb> 25 atoms in block 17
Block first atom: 364
Blocpdb> 25 atoms in block 18
Block first atom: 389
Blocpdb> 31 atoms in block 19
Block first atom: 414
Blocpdb> 27 atoms in block 20
Block first atom: 445
Blocpdb> 26 atoms in block 21
Block first atom: 472
Blocpdb> 22 atoms in block 22
Block first atom: 498
Blocpdb> 27 atoms in block 23
Block first atom: 520
Blocpdb> 26 atoms in block 24
Block first atom: 547
Blocpdb> 20 atoms in block 25
Block first atom: 573
Blocpdb> 24 atoms in block 26
Block first atom: 593
Blocpdb> 24 atoms in block 27
Block first atom: 617
Blocpdb> 25 atoms in block 28
Block first atom: 641
Blocpdb> 22 atoms in block 29
Block first atom: 666
Blocpdb> 27 atoms in block 30
Block first atom: 688
Blocpdb> 18 atoms in block 31
Block first atom: 715
Blocpdb> 20 atoms in block 32
Block first atom: 733
Blocpdb> 20 atoms in block 33
Block first atom: 753
Blocpdb> 23 atoms in block 34
Block first atom: 773
Blocpdb> 24 atoms in block 35
Block first atom: 796
Blocpdb> 22 atoms in block 36
Block first atom: 820
Blocpdb> 6 atoms in block 37
Block first atom: 842
Blocpdb> 30 atoms in block 38
Block first atom: 848
Blocpdb> 34 atoms in block 39
Block first atom: 878
Blocpdb> 27 atoms in block 40
Block first atom: 912
Blocpdb> 14 atoms in block 41
Block first atom: 939
Blocpdb> 30 atoms in block 42
Block first atom: 953
Blocpdb> 27 atoms in block 43
Block first atom: 983
Blocpdb> 27 atoms in block 44
Block first atom: 1010
Blocpdb> 23 atoms in block 45
Block first atom: 1037
Blocpdb> 27 atoms in block 46
Block first atom: 1060
Blocpdb> 21 atoms in block 47
Block first atom: 1087
Blocpdb> 20 atoms in block 48
Block first atom: 1108
Blocpdb> 34 atoms in block 49
Block first atom: 1128
Blocpdb> 20 atoms in block 50
Block first atom: 1162
Blocpdb> 27 atoms in block 51
Block first atom: 1182
Blocpdb> 14 atoms in block 52
Block first atom: 1209
Blocpdb> 24 atoms in block 53
Block first atom: 1223
Blocpdb> 30 atoms in block 54
Block first atom: 1247
Blocpdb> 20 atoms in block 55
Block first atom: 1277
Blocpdb> 22 atoms in block 56
Block first atom: 1297
Blocpdb> 15 atoms in block 57
Block first atom: 1319
Blocpdb> 23 atoms in block 58
Block first atom: 1334
Blocpdb> 22 atoms in block 59
Block first atom: 1357
Blocpdb> 20 atoms in block 60
Block first atom: 1379
Blocpdb> 22 atoms in block 61
Block first atom: 1399
Blocpdb> 31 atoms in block 62
Block first atom: 1421
Blocpdb> 19 atoms in block 63
Block first atom: 1452
Blocpdb> 19 atoms in block 64
Block first atom: 1471
Blocpdb> 26 atoms in block 65
Block first atom: 1490
Blocpdb> 26 atoms in block 66
Block first atom: 1516
Blocpdb> 25 atoms in block 67
Block first atom: 1542
Blocpdb> 24 atoms in block 68
Block first atom: 1567
Blocpdb> 19 atoms in block 69
Block first atom: 1591
Blocpdb> 33 atoms in block 70
Block first atom: 1610
Blocpdb> 22 atoms in block 71
Block first atom: 1643
Blocpdb> 19 atoms in block 72
Block first atom: 1665
Blocpdb> 24 atoms in block 73
Block first atom: 1684
Blocpdb> 30 atoms in block 74
Block first atom: 1708
Blocpdb> 16 atoms in block 75
Block first atom: 1738
Blocpdb> 23 atoms in block 76
Block first atom: 1754
Blocpdb> 22 atoms in block 77
Block first atom: 1777
Blocpdb> 25 atoms in block 78
Block first atom: 1799
Blocpdb> 22 atoms in block 79
Block first atom: 1824
Blocpdb> 23 atoms in block 80
Block first atom: 1846
Blocpdb> 24 atoms in block 81
Block first atom: 1869
Blocpdb> 23 atoms in block 82
Block first atom: 1893
Blocpdb> 20 atoms in block 83
Block first atom: 1916
Blocpdb> 17 atoms in block 84
Block first atom: 1936
Blocpdb> 22 atoms in block 85
Block first atom: 1953
Blocpdb> 17 atoms in block 86
Block first atom: 1975
Blocpdb> 19 atoms in block 87
Block first atom: 1992
Blocpdb> 18 atoms in block 88
Block first atom: 2011
Blocpdb> 19 atoms in block 89
Block first atom: 2029
Blocpdb> 20 atoms in block 90
Block first atom: 2048
Blocpdb> 25 atoms in block 91
Block first atom: 2068
Blocpdb> 22 atoms in block 92
Block first atom: 2093
Blocpdb> 28 atoms in block 93
Block first atom: 2115
Blocpdb> 29 atoms in block 94
Block first atom: 2143
Blocpdb> 26 atoms in block 95
Block first atom: 2172
Blocpdb> 21 atoms in block 96
Block first atom: 2198
Blocpdb> 24 atoms in block 97
Block first atom: 2219
Blocpdb> 21 atoms in block 98
Block first atom: 2243
Blocpdb> 21 atoms in block 99
Block first atom: 2264
Blocpdb> 24 atoms in block 100
Block first atom: 2285
Blocpdb> 25 atoms in block 101
Block first atom: 2309
Blocpdb> 17 atoms in block 102
Block first atom: 2334
Blocpdb> 23 atoms in block 103
Block first atom: 2351
Blocpdb> 21 atoms in block 104
Block first atom: 2374
Blocpdb> 18 atoms in block 105
Block first atom: 2395
Blocpdb> 21 atoms in block 106
Block first atom: 2413
Blocpdb> 23 atoms in block 107
Block first atom: 2434
Blocpdb> 31 atoms in block 108
Block first atom: 2457
Blocpdb> 18 atoms in block 109
Block first atom: 2488
Blocpdb> 26 atoms in block 110
Block first atom: 2506
Blocpdb> 23 atoms in block 111
Block first atom: 2532
Blocpdb> 19 atoms in block 112
Block first atom: 2555
Blocpdb> 22 atoms in block 113
Block first atom: 2574
Blocpdb> 21 atoms in block 114
Block first atom: 2596
Blocpdb> 21 atoms in block 115
Block first atom: 2617
Blocpdb> 23 atoms in block 116
Block first atom: 2638
Blocpdb> 19 atoms in block 117
Block first atom: 2661
Blocpdb> 29 atoms in block 118
Block first atom: 2680
Blocpdb> 20 atoms in block 119
Block first atom: 2709
Blocpdb> 20 atoms in block 120
Block first atom: 2729
Blocpdb> 18 atoms in block 121
Block first atom: 2749
Blocpdb> 14 atoms in block 122
Block first atom: 2767
Blocpdb> 15 atoms in block 123
Block first atom: 2781
Blocpdb> 19 atoms in block 124
Block first atom: 2796
Blocpdb> 19 atoms in block 125
Block first atom: 2815
Blocpdb> 33 atoms in block 126
Block first atom: 2834
Blocpdb> 23 atoms in block 127
Block first atom: 2867
Blocpdb> 24 atoms in block 128
Block first atom: 2890
Blocpdb> 21 atoms in block 129
Block first atom: 2914
Blocpdb> 20 atoms in block 130
Block first atom: 2935
Blocpdb> 20 atoms in block 131
Block first atom: 2955
Blocpdb> 23 atoms in block 132
Block first atom: 2975
Blocpdb> 23 atoms in block 133
Block first atom: 2998
Blocpdb> 25 atoms in block 134
Block first atom: 3021
Blocpdb> 28 atoms in block 135
Block first atom: 3046
Blocpdb> 22 atoms in block 136
Block first atom: 3074
Blocpdb> 25 atoms in block 137
Block first atom: 3096
Blocpdb> 23 atoms in block 138
Block first atom: 3121
Blocpdb> 25 atoms in block 139
Block first atom: 3144
Blocpdb> 18 atoms in block 140
Block first atom: 3169
Blocpdb> 30 atoms in block 141
Block first atom: 3187
Blocpdb> 23 atoms in block 142
Block first atom: 3217
Blocpdb> 20 atoms in block 143
Block first atom: 3240
Blocpdb> 21 atoms in block 144
Block first atom: 3260
Blocpdb> 27 atoms in block 145
Block first atom: 3281
Blocpdb> 24 atoms in block 146
Block first atom: 3308
Blocpdb> 21 atoms in block 147
Block first atom: 3332
Blocpdb> 22 atoms in block 148
Block first atom: 3353
Blocpdb> 25 atoms in block 149
Block first atom: 3375
Blocpdb> 22 atoms in block 150
Block first atom: 3400
Blocpdb> 19 atoms in block 151
Block first atom: 3422
Blocpdb> 20 atoms in block 152
Block first atom: 3441
Blocpdb> 19 atoms in block 153
Block first atom: 3461
Blocpdb> 20 atoms in block 154
Block first atom: 3480
Blocpdb> 17 atoms in block 155
Block first atom: 3500
Blocpdb> 24 atoms in block 156
Block first atom: 3517
Blocpdb> 20 atoms in block 157
Block first atom: 3541
Blocpdb> 28 atoms in block 158
Block first atom: 3561
Blocpdb> 19 atoms in block 159
Block first atom: 3589
Blocpdb> 27 atoms in block 160
Block first atom: 3608
Blocpdb> 27 atoms in block 161
Block first atom: 3635
Blocpdb> 19 atoms in block 162
Block first atom: 3662
Blocpdb> 24 atoms in block 163
Block first atom: 3681
Blocpdb> 18 atoms in block 164
Block first atom: 3705
Blocpdb> 18 atoms in block 165
Block first atom: 3723
Blocpdb> 18 atoms in block 166
Block first atom: 3741
Blocpdb> 15 atoms in block 167
Block first atom: 3759
Blocpdb> 24 atoms in block 168
Block first atom: 3774
Blocpdb> 25 atoms in block 169
Block first atom: 3798
Blocpdb> 19 atoms in block 170
Block first atom: 3823
Blocpdb> 21 atoms in block 171
Block first atom: 3842
Blocpdb> 20 atoms in block 172
Block first atom: 3863
Blocpdb> 19 atoms in block 173
Block first atom: 3883
Blocpdb> 23 atoms in block 174
Block first atom: 3902
Blocpdb> 22 atoms in block 175
Block first atom: 3925
Blocpdb> 21 atoms in block 176
Block first atom: 3947
Blocpdb> 15 atoms in block 177
Block first atom: 3968
Blocpdb> 23 atoms in block 178
Block first atom: 3983
Blocpdb> 20 atoms in block 179
Block first atom: 4006
Blocpdb> 14 atoms in block 180
Block first atom: 4026
Blocpdb> 25 atoms in block 181
Block first atom: 4040
Blocpdb> 24 atoms in block 182
Block first atom: 4065
Blocpdb> 18 atoms in block 183
Block first atom: 4089
Blocpdb> 18 atoms in block 184
Block first atom: 4107
Blocpdb> 16 atoms in block 185
Block first atom: 4125
Blocpdb> 16 atoms in block 186
Block first atom: 4141
Blocpdb> 7 atoms in block 187
Block first atom: 4156
Blocpdb> 187 blocks.
Blocpdb> At most, 34 atoms in each of them.
Blocpdb> At least, 6 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1487617 matrix lines read.
Prepmat> Matrix order = 12489
Prepmat> Matrix trace = 3250360.0000
Prepmat> Last element read: 12489 12489 211.3418
Prepmat> 17579 lines saved.
Prepmat> 15840 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: 4163
RTB> Total mass = 4163.0000
RTB> Number of atoms found in matrix: 4163
RTB> Number of blocks = 187
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 225510.8640
RTB> 59763 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 = 1122
Diagstd> Nb of non-zero elements: 59763
Diagstd> Projected matrix trace = 225510.8640
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1122 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 225510.8640
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 0.2284320 0.3205867 0.3654255 1.1728237
1.6245562 1.8392822 2.2612536 2.7788500 3.4226984
4.7346325 4.9995650 5.1985161 5.6679374 6.4171799
6.7880981 7.9851907 8.4549367 8.9251959 9.2282686
9.4717711 10.2563121 10.8849097 11.0826603 11.5747355
11.8733847 12.3298757 13.1323247 13.3392477 14.2350428
14.6738847 15.3301844 16.1697300 17.0896584 17.4667641
17.8135460 18.3796129 18.6591383 18.7337965 19.1188113
19.7432740 20.3735588 20.7293083 21.0420120 21.3565726
22.0993024 22.5008501 22.6342944 23.6228885 24.3407783
24.4262074 24.9827063 25.3337104 25.8454059 26.2474232
26.9667001 27.5881298 28.3129479 28.8534033 29.1606751
29.4374957 29.9657365 30.0798454 30.7532085 31.3772975
31.6520660 32.6012217 32.9155731 33.3121038 34.0105226
34.4998558 34.7602214 35.0983136 35.6202449 36.3242047
36.6810504 36.9830096 37.3997926 38.2062006 38.5181296
38.7690043 38.8321634 38.8663374 39.6529759 40.4190086
40.8487977 41.1487266 41.6606235 42.0357858 42.3805439
42.7036127 43.1940671 43.7787795 44.1256602 44.4948768
45.3654950 45.8508649 46.2470881 46.9946101 47.3723266
47.6645311
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034320 0.0034330 0.0034332 0.0034336
0.0034338 51.9007676 61.4848403 65.6439479 117.6011736
138.4084630 147.2717567 163.2938846 181.0205292 200.8998429
236.2862337 242.8071041 247.5910712 258.5281282 275.0853023
282.9237043 306.8583370 315.7551630 324.4174151 329.8795503
334.2034099 347.7690226 358.2677337 361.5074820 369.4458718
374.1817049 381.3068691 393.5193442 396.6075239 409.7082119
415.9755753 425.1762227 436.6632710 448.9127813 453.8386806
458.3217523 465.5469224 469.0736878 470.0111707 474.8164138
482.5083869 490.1496865 494.4105003 498.1256578 501.8351278
510.4868536 515.1037873 516.6289757 527.7907566 535.7504078
536.6897489 542.7689828 546.5686040 552.0608611 556.3378622
563.9092035 570.3696528 577.8136872 583.3024540 586.4001423
589.1768997 594.4396339 595.5703661 602.1996468 608.2793152
610.9368364 620.0293069 623.0113963 626.7528407 633.2889828
637.8284994 640.2307764 643.3368158 648.1025507 654.4754156
657.6823126 660.3837917 664.0944903 671.2158541 673.9503064
676.1415177 676.6920487 676.9897424 683.8064191 690.3798528
694.0406689 696.5839765 700.9033936 704.0522092 706.9334691
709.6228461 713.6862500 718.5005506 721.3414500 724.3530358
731.4053075 735.3075859 738.4778554 744.4221823 747.4078202
749.7093766
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4163
Rtb_to_modes> Number of blocs = 187
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: 9.9856E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9885E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9942E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2284
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3206
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3654
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.173
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.625
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.839
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.261
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.779
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.423
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.735
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.000
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.199
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.668
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.417
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 6.788
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 7.985
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.455
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.925
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 9.228
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.472
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.88
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 11.08
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 11.57
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 11.87
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 12.33
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.13
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 13.34
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 14.24
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 14.67
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 15.33
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 16.17
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 17.09
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 17.47
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 17.81
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 18.38
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.66
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 19.12
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 20.37
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 21.04
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 22.10
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 22.63
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 23.62
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 24.34
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 24.43
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 24.98
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 25.33
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 25.85
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 26.25
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 26.97
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 27.59
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 28.31
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 28.85
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 29.16
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 29.44
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 29.97
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 30.08
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 31.38
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 31.65
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 32.60
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 32.92
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 33.31
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 34.01
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 34.50
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 34.76
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 35.10
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 35.62
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 36.32
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 36.98
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 38.21
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 38.52
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 38.77
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 38.83
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 38.87
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.65
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 40.42
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 40.85
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 41.15
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 41.66
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 42.04
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 42.38
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 42.70
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 43.19
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 43.78
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 44.13
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 44.49
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 45.37
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 45.85
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 46.25
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 46.99
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 47.37
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 47.66
Rtb_to_modes> 106 vectors, with 1122 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 0.99999 1.00000
1.00002 1.00001 1.00000 0.99997 1.00000
1.00002 1.00001 1.00001 1.00001 1.00002
0.99999 1.00001 1.00002 0.99998 1.00002
1.00003 1.00000 1.00002 0.99998 0.99999
0.99999 0.99998 0.99994 1.00000 0.99997
1.00000 0.99999 0.99999 1.00001 0.99999
1.00000 0.99998 1.00000 0.99999 1.00000
1.00001 1.00002 1.00000 1.00000 1.00002
0.99998 0.99999 1.00001 1.00000 1.00000
1.00001 0.99999 1.00001 0.99999 1.00001
0.99998 0.99999 0.99998 0.99999 1.00001
0.99997 0.99999 0.99998 1.00000 1.00000
1.00001 1.00001 1.00000 0.99998 0.99999
0.99999 0.99999 1.00002 1.00001 1.00002
1.00000 1.00002 1.00001 1.00000 1.00000
1.00000 1.00001 1.00000 1.00001 0.99998
1.00000 1.00000 1.00000 0.99999 1.00001
0.99999 1.00002 0.99998 0.99999 1.00002
1.00000 1.00001 0.99999 1.00002 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 74934 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 0.99999 1.00000
1.00002 1.00001 1.00000 0.99997 1.00000
1.00002 1.00001 1.00001 1.00001 1.00002
0.99999 1.00001 1.00002 0.99998 1.00002
1.00003 1.00000 1.00002 0.99998 0.99999
0.99999 0.99998 0.99994 1.00000 0.99997
1.00000 0.99999 0.99999 1.00001 0.99999
1.00000 0.99998 1.00000 0.99999 1.00000
1.00001 1.00002 1.00000 1.00000 1.00002
0.99998 0.99999 1.00001 1.00000 1.00000
1.00001 0.99999 1.00001 0.99999 1.00001
0.99998 0.99999 0.99998 0.99999 1.00001
0.99997 0.99999 0.99998 1.00000 1.00000
1.00001 1.00001 1.00000 0.99998 0.99999
0.99999 0.99999 1.00002 1.00001 1.00002
1.00000 1.00002 1.00001 1.00000 1.00000
1.00000 1.00001 1.00000 1.00001 0.99998
1.00000 1.00000 1.00000 0.99999 1.00001
0.99999 1.00002 0.99998 0.99999 1.00002
1.00000 1.00001 0.99999 1.00002 0.99999
1.00001
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> 240220112236181025.eigenfacs
Openam> file on opening on unit 10:
240220112236181025.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240220112236181025.atom
Openam> file on opening on unit 11:
240220112236181025.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 = 555
First residue number = 451
Last residue number = 1541
Number of atoms found = 4163
Mean number per residue = 7.5
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9856E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9885E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.839
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.261
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.417
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.985
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 9.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 11.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 12.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 13.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 14.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 14.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 17.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 17.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 19.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 20.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 21.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 22.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 22.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 23.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 24.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 24.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 24.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 25.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 25.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 26.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 26.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 27.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 28.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 28.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 29.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 29.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 29.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 30.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 31.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 31.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 32.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 32.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 33.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 34.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 34.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 34.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 35.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 35.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 36.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 36.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 38.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 38.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 38.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 38.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 38.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 40.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 40.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 41.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 41.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 42.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 42.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 42.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 43.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 43.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 44.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 44.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 45.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 45.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 46.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 46.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 47.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 47.66
Bfactors> 106 vectors, 12489 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 : 0.228400
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= -0.118 for 555 C-alpha atoms.
Bfactors> = 0.068 +/- 0.06
Bfactors> = 69.873 +/- 42.08
Bfactors> Shiftng-fct= 69.805
Bfactors> Scaling-fct= 714.948
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240220112236181025 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=0
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=100
240220112236181025.eigenfacs
240220112236181025.atom
making animated gifs
11 models are in 240220112236181025.7.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 240220112236181025.7.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 240220112236181025.7.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 240220112236181025 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=0
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=100
240220112236181025.eigenfacs
240220112236181025.atom
making animated gifs
11 models are in 240220112236181025.8.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 240220112236181025.8.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 240220112236181025.8.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 240220112236181025 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=0
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=100
240220112236181025.eigenfacs
240220112236181025.atom
making animated gifs
11 models are in 240220112236181025.9.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 240220112236181025.9.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 240220112236181025.9.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 240220112236181025 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=0
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=100
240220112236181025.eigenfacs
240220112236181025.atom
making animated gifs
11 models are in 240220112236181025.10.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 240220112236181025.10.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 240220112236181025.10.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 240220112236181025 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=-20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=0
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=20
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=40
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=60
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=80
240220112236181025.eigenfacs
240220112236181025.atom
calculating perturbed structure for DQ=100
240220112236181025.eigenfacs
240220112236181025.atom
making animated gifs
11 models are in 240220112236181025.11.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 240220112236181025.11.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 240220112236181025.11.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
240220112236181025.10.pdb
240220112236181025.11.pdb
240220112236181025.7.pdb
240220112236181025.8.pdb
240220112236181025.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.754s
user 0m24.685s
sys 0m0.068s
../../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: 240220112236181025.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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