*** CMEs ***
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 = 240123140727138364.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 240123140727138364.atom to be opened.
Openam> File opened: 240123140727138364.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 = 151
First residue number = 1
Last residue number = 151
Number of atoms found = 1049
Mean number per residue = 6.9
Pdbmat> Coordinate statistics:
= -1.328045 +/- 10.864827 From: -34.156000 To: 20.781000
= -0.864090 +/- 8.324355 From: -24.984000 To: 15.273000
= 1.351027 +/- 13.963703 From: -30.406000 To: 31.172000
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 4.7693 % Filled.
Pdbmat> 236243 non-zero elements.
Pdbmat> 25576 atom-atom interactions.
Pdbmat> Number per atom= 48.76 +/- 18.36
Maximum number = 91
Minimum number = 8
Pdbmat> Matrix trace = 511520.
Pdbmat> Larger element = 387.063
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
151 non-zero elements, NRBL set to 1
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 = 240123140727138364.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 240123140727138364.atom to be opened.
Openam> file on opening on unit 11:
240123140727138364.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1049 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 151 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 4 atoms in block 2
Block first atom: 9
Blocpdb> 4 atoms in block 3
Block first atom: 13
Blocpdb> 6 atoms in block 4
Block first atom: 17
Blocpdb> 5 atoms in block 5
Block first atom: 23
Blocpdb> 6 atoms in block 6
Block first atom: 28
Blocpdb> 8 atoms in block 7
Block first atom: 34
Blocpdb> 9 atoms in block 8
Block first atom: 42
Blocpdb> 10 atoms in block 9
Block first atom: 51
Blocpdb> 7 atoms in block 10
Block first atom: 61
Blocpdb> 5 atoms in block 11
Block first atom: 68
Blocpdb> 7 atoms in block 12
Block first atom: 73
Blocpdb> 11 atoms in block 13
Block first atom: 80
Blocpdb> 4 atoms in block 14
Block first atom: 91
Blocpdb> 6 atoms in block 15
Block first atom: 95
Blocpdb> 9 atoms in block 16
Block first atom: 101
Blocpdb> 8 atoms in block 17
Block first atom: 110
Blocpdb> 5 atoms in block 18
Block first atom: 118
Blocpdb> 7 atoms in block 19
Block first atom: 123
Blocpdb> 8 atoms in block 20
Block first atom: 130
Blocpdb> 4 atoms in block 21
Block first atom: 138
Blocpdb> 7 atoms in block 22
Block first atom: 142
Blocpdb> 4 atoms in block 23
Block first atom: 149
Blocpdb> 7 atoms in block 24
Block first atom: 153
Blocpdb> 4 atoms in block 25
Block first atom: 160
Blocpdb> 7 atoms in block 26
Block first atom: 164
Blocpdb> 7 atoms in block 27
Block first atom: 171
Blocpdb> 11 atoms in block 28
Block first atom: 178
Blocpdb> 4 atoms in block 29
Block first atom: 189
Blocpdb> 5 atoms in block 30
Block first atom: 193
Blocpdb> 4 atoms in block 31
Block first atom: 198
Blocpdb> 11 atoms in block 32
Block first atom: 202
Blocpdb> 7 atoms in block 33
Block first atom: 213
Blocpdb> 4 atoms in block 34
Block first atom: 220
Blocpdb> 9 atoms in block 35
Block first atom: 224
Blocpdb> 11 atoms in block 36
Block first atom: 233
Blocpdb> 4 atoms in block 37
Block first atom: 244
Blocpdb> 8 atoms in block 38
Block first atom: 248
Blocpdb> 8 atoms in block 39
Block first atom: 256
Blocpdb> 9 atoms in block 40
Block first atom: 264
Blocpdb> 6 atoms in block 41
Block first atom: 273
Blocpdb> 11 atoms in block 42
Block first atom: 279
Blocpdb> 7 atoms in block 43
Block first atom: 290
Blocpdb> 7 atoms in block 44
Block first atom: 297
Blocpdb> 9 atoms in block 45
Block first atom: 304
Blocpdb> 4 atoms in block 46
Block first atom: 313
Blocpdb> 7 atoms in block 47
Block first atom: 317
Blocpdb> 4 atoms in block 48
Block first atom: 324
Blocpdb> 7 atoms in block 49
Block first atom: 328
Blocpdb> 4 atoms in block 50
Block first atom: 335
Blocpdb> 8 atoms in block 51
Block first atom: 339
Blocpdb> 12 atoms in block 52
Block first atom: 347
Blocpdb> 7 atoms in block 53
Block first atom: 359
Blocpdb> 5 atoms in block 54
Block first atom: 366
Blocpdb> 6 atoms in block 55
Block first atom: 371
Blocpdb> 10 atoms in block 56
Block first atom: 377
Blocpdb> 7 atoms in block 57
Block first atom: 387
Blocpdb> 7 atoms in block 58
Block first atom: 394
Blocpdb> 8 atoms in block 59
Block first atom: 401
Blocpdb> 4 atoms in block 60
Block first atom: 409
Blocpdb> 7 atoms in block 61
Block first atom: 413
Blocpdb> 9 atoms in block 62
Block first atom: 420
Blocpdb> 8 atoms in block 63
Block first atom: 429
Blocpdb> 8 atoms in block 64
Block first atom: 437
Blocpdb> 4 atoms in block 65
Block first atom: 445
Blocpdb> 7 atoms in block 66
Block first atom: 449
Blocpdb> 4 atoms in block 67
Block first atom: 456
Blocpdb> 7 atoms in block 68
Block first atom: 460
Blocpdb> 4 atoms in block 69
Block first atom: 467
Blocpdb> 8 atoms in block 70
Block first atom: 471
Blocpdb> 9 atoms in block 71
Block first atom: 479
Blocpdb> 7 atoms in block 72
Block first atom: 488
Blocpdb> 6 atoms in block 73
Block first atom: 495
Blocpdb> 8 atoms in block 74
Block first atom: 501
Blocpdb> 9 atoms in block 75
Block first atom: 509
Blocpdb> 8 atoms in block 76
Block first atom: 518
Blocpdb> 4 atoms in block 77
Block first atom: 526
Blocpdb> 8 atoms in block 78
Block first atom: 530
Blocpdb> 9 atoms in block 79
Block first atom: 538
Blocpdb> 7 atoms in block 80
Block first atom: 547
Blocpdb> 8 atoms in block 81
Block first atom: 554
Blocpdb> 8 atoms in block 82
Block first atom: 562
Blocpdb> 6 atoms in block 83
Block first atom: 570
Blocpdb> 10 atoms in block 84
Block first atom: 576
Blocpdb> 8 atoms in block 85
Block first atom: 586
Blocpdb> 14 atoms in block 86
Block first atom: 594
Blocpdb> 7 atoms in block 87
Block first atom: 608
Blocpdb> 4 atoms in block 88
Block first atom: 615
Blocpdb> 7 atoms in block 89
Block first atom: 619
Blocpdb> 4 atoms in block 90
Block first atom: 626
Blocpdb> 7 atoms in block 91
Block first atom: 630
Blocpdb> 4 atoms in block 92
Block first atom: 637
Blocpdb> 7 atoms in block 93
Block first atom: 641
Blocpdb> 6 atoms in block 94
Block first atom: 648
Blocpdb> 5 atoms in block 95
Block first atom: 654
Blocpdb> 7 atoms in block 96
Block first atom: 659
Blocpdb> 6 atoms in block 97
Block first atom: 666
Blocpdb> 7 atoms in block 98
Block first atom: 672
Blocpdb> 8 atoms in block 99
Block first atom: 679
Blocpdb> 7 atoms in block 100
Block first atom: 687
Blocpdb> 4 atoms in block 101
Block first atom: 694
Blocpdb> 7 atoms in block 102
Block first atom: 698
Blocpdb> 8 atoms in block 103
Block first atom: 705
Blocpdb> 4 atoms in block 104
Block first atom: 713
Blocpdb> 10 atoms in block 105
Block first atom: 717
Blocpdb> 11 atoms in block 106
Block first atom: 727
Blocpdb> 4 atoms in block 107
Block first atom: 738
Blocpdb> 7 atoms in block 108
Block first atom: 742
Blocpdb> 4 atoms in block 109
Block first atom: 749
Blocpdb> 7 atoms in block 110
Block first atom: 753
Blocpdb> 4 atoms in block 111
Block first atom: 760
Blocpdb> 7 atoms in block 112
Block first atom: 764
Blocpdb> 7 atoms in block 113
Block first atom: 771
Blocpdb> 8 atoms in block 114
Block first atom: 778
Blocpdb> 7 atoms in block 115
Block first atom: 786
Blocpdb> 7 atoms in block 116
Block first atom: 793
Blocpdb> 4 atoms in block 117
Block first atom: 800
Blocpdb> 6 atoms in block 118
Block first atom: 804
Blocpdb> 7 atoms in block 119
Block first atom: 810
Blocpdb> 9 atoms in block 120
Block first atom: 817
Blocpdb> 7 atoms in block 121
Block first atom: 826
Blocpdb> 8 atoms in block 122
Block first atom: 833
Blocpdb> 7 atoms in block 123
Block first atom: 841
Blocpdb> 4 atoms in block 124
Block first atom: 848
Blocpdb> 8 atoms in block 125
Block first atom: 852
Blocpdb> 4 atoms in block 126
Block first atom: 860
Blocpdb> 7 atoms in block 127
Block first atom: 864
Blocpdb> 4 atoms in block 128
Block first atom: 871
Blocpdb> 7 atoms in block 129
Block first atom: 875
Blocpdb> 4 atoms in block 130
Block first atom: 882
Blocpdb> 8 atoms in block 131
Block first atom: 886
Blocpdb> 8 atoms in block 132
Block first atom: 894
Blocpdb> 6 atoms in block 133
Block first atom: 902
Blocpdb> 8 atoms in block 134
Block first atom: 908
Blocpdb> 7 atoms in block 135
Block first atom: 916
Blocpdb> 4 atoms in block 136
Block first atom: 923
Blocpdb> 8 atoms in block 137
Block first atom: 927
Blocpdb> 5 atoms in block 138
Block first atom: 935
Blocpdb> 7 atoms in block 139
Block first atom: 940
Blocpdb> 4 atoms in block 140
Block first atom: 947
Blocpdb> 8 atoms in block 141
Block first atom: 951
Blocpdb> 6 atoms in block 142
Block first atom: 959
Blocpdb> 8 atoms in block 143
Block first atom: 965
Blocpdb> 11 atoms in block 144
Block first atom: 973
Blocpdb> 6 atoms in block 145
Block first atom: 984
Blocpdb> 10 atoms in block 146
Block first atom: 990
Blocpdb> 10 atoms in block 147
Block first atom: 1000
Blocpdb> 10 atoms in block 148
Block first atom: 1010
Blocpdb> 10 atoms in block 149
Block first atom: 1020
Blocpdb> 10 atoms in block 150
Block first atom: 1030
Blocpdb> 10 atoms in block 151
Block first atom: 1039
Blocpdb> 151 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 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> 236394 matrix lines read.
Prepmat> Matrix order = 3147
Prepmat> Matrix trace = 511520.0000
Prepmat> Last element read: 3147 3147 119.0324
Prepmat> 11477 lines saved.
Prepmat> 10346 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: 1049
RTB> Total mass = 1049.0000
RTB> Number of atoms found in matrix: 1049
RTB> Number of blocks = 151
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 125117.6463
RTB> 38415 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 = 906
Diagstd> Nb of non-zero elements: 38415
Diagstd> Projected matrix trace = 125117.6463
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 906 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 125117.6463
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 0.0245552 0.0382189 0.0591775 0.0623116
0.0759099 0.1644047 0.2858125 0.4036458 0.4318601
0.4538876 0.5775237 0.8247974 0.8565073 0.9224126
1.0547368 1.1833748 1.2996067 1.3931343 1.4604089
2.0118555 2.1585623 2.3176075 2.3782948 2.3981060
2.5780183 2.6923921 2.8709289 2.9717928 3.1671463
3.2073411 3.2666673 3.6197283 4.0759888 4.3540319
4.4747084 4.6269098 4.9074884 5.0249593 5.4232216
5.5544841 5.8297089 6.0897850 6.6818697 6.7929365
7.0098915 7.2708501 7.3190308 7.5236469 7.7244576
8.1260743 8.3192762 8.4875981 8.6236041 9.1484601
9.3317536 9.6774629 9.9718804 10.2010868 10.7328141
11.3503450 11.4115248 11.6873933 11.8930813 12.3442863
12.8105227 13.0406639 13.6814265 13.9878516 14.2505771
14.5474392 14.8236942 15.2080893 15.4319648 15.4840587
15.8203835 16.1818931 16.3767191 16.6993154 17.1247605
17.5551956 17.6205560 18.2142238 18.3131696 18.6796872
18.9978874 19.4140749 20.1092985 20.2855862 20.3910898
20.6339069 20.7821590 21.2228273 22.1250546 22.3102264
22.5488819 22.8902433 23.3997172 23.7798365 24.0846351
24.3737979
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034332 0.0034335 0.0034337 0.0034340
0.0034347 17.0163844 21.2292463 26.4163919 27.1068845
29.9188229 44.0303775 58.0545047 68.9914863 71.3619671
73.1592805 82.5239817 98.6208897 100.4987857 104.2936579
111.5237437 118.1289769 123.7944724 128.1715886 131.2298148
154.0258709 159.5429346 165.3161292 167.4665695 168.1626204
174.3565561 178.1822471 183.9952024 187.1994404 193.2543791
194.4768261 196.2672023 206.6014031 219.2359515 226.5901797
229.7088080 233.5827657 240.5608340 243.4229687 252.8855159
255.9276119 262.1915646 267.9762230 280.7012089 283.0245159
287.5086580 292.8113288 293.7798931 297.8581471 301.8069788
309.5534692 313.2117547 316.3644566 318.8891085 328.4500100
331.7240131 337.8127503 342.9128905 346.8314740 355.7558771
365.8472644 366.8319209 371.2394400 374.4919389 381.5296323
388.6679287 392.1436003 401.6622079 406.1353460 409.9317028
414.1794582 418.0935856 423.4797108 426.5853067 427.3047145
431.9204662 436.8274725 439.4492521 443.7563836 449.3735776
454.9860865 455.8322882 463.4475757 464.7046728 469.3319064
473.3124572 478.4688074 486.9605071 489.0903136 490.3605222
493.2714885 495.0403645 500.2612919 510.7842013 512.9172077
515.6532823 519.5417882 525.2917555 529.5411475 532.9240446
536.1136729
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1049
Rtb_to_modes> Number of blocs = 151
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: 9.9955E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9956E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.4555E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.8219E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.9177E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.2312E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.5910E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1644
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2858
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.4036
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4319
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4539
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5775
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.8248
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8565
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9224
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.055
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.183
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.300
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.393
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.460
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.012
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.159
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.318
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.378
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.398
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.578
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.692
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.871
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.972
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.167
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3.207
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.267
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.620
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.076
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 4.354
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 4.475
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 4.627
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.907
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 5.025
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 5.423
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 5.554
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.830
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 6.090
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 6.682
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.793
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 7.010
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.271
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 7.319
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 7.524
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 7.724
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 8.126
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 8.319
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 8.488
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 8.624
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 9.148
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 9.332
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 9.677
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 9.972
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 10.20
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 11.35
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 11.41
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 11.69
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 12.81
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 13.68
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 13.99
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 14.55
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 14.82
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 15.21
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 15.43
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 15.48
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 15.82
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 16.18
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 16.38
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 16.70
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 17.12
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 17.56
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 17.62
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 18.21
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 18.31
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 18.68
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 19.41
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 20.11
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 20.29
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 20.39
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 20.63
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 20.78
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 21.22
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 22.13
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 22.31
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 22.55
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 22.89
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 23.40
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 23.78
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 24.08
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 24.37
Rtb_to_modes> 106 vectors, with 906 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00000 1.00001 1.00001
1.00000 0.99999 1.00004 1.00001 0.99996
1.00000 1.00000 0.99998 1.00005 1.00000
1.00001 1.00001 1.00002 1.00001 0.99998
1.00000 1.00000 0.99999 1.00004 1.00002
1.00003 0.99997 1.00000 0.99998 1.00002
0.99999 0.99997 1.00002 0.99999 0.99995
1.00000 0.99999 0.99998 0.99999 0.99997
1.00002 1.00003 0.99997 0.99999 0.99999
0.99999 1.00000 0.99998 0.99997 1.00001
1.00003 0.99997 0.99997 0.99998 1.00001
0.99998 0.99996 1.00000 1.00000 0.99995
1.00000 0.99999 1.00001 1.00004 1.00000
0.99997 1.00002 0.99999 0.99999 1.00001
1.00000 0.99998 1.00002 1.00002 0.99998
0.99998 0.99999 1.00000 1.00002 1.00001
1.00000 1.00002 1.00001 1.00002 0.99997
0.99999 1.00002 1.00000 0.99998 0.99999
1.00002 1.00003 0.99998 0.99999 1.00000
1.00000 1.00002 1.00001 1.00001 0.99998
1.00002 1.00001 0.99997 1.00002 1.00000
0.99996
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 18882 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00000 1.00001 1.00001
1.00000 0.99999 1.00004 1.00001 0.99996
1.00000 1.00000 0.99998 1.00005 1.00000
1.00001 1.00001 1.00002 1.00001 0.99998
1.00000 1.00000 0.99999 1.00004 1.00002
1.00003 0.99997 1.00000 0.99998 1.00002
0.99999 0.99997 1.00002 0.99999 0.99995
1.00000 0.99999 0.99998 0.99999 0.99997
1.00002 1.00003 0.99997 0.99999 0.99999
0.99999 1.00000 0.99998 0.99997 1.00001
1.00003 0.99997 0.99997 0.99998 1.00001
0.99998 0.99996 1.00000 1.00000 0.99995
1.00000 0.99999 1.00001 1.00004 1.00000
0.99997 1.00002 0.99999 0.99999 1.00001
1.00000 0.99998 1.00002 1.00002 0.99998
0.99998 0.99999 1.00000 1.00002 1.00001
1.00000 1.00002 1.00001 1.00002 0.99997
0.99999 1.00002 1.00000 0.99998 0.99999
1.00002 1.00003 0.99998 0.99999 1.00000
1.00000 1.00002 1.00001 1.00001 0.99998
1.00002 1.00001 0.99997 1.00002 1.00000
0.99996
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> 240123140727138364.eigenfacs
Openam> file on opening on unit 10:
240123140727138364.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240123140727138364.atom
Openam> file on opening on unit 11:
240123140727138364.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 = 151
First residue number = 1
Last residue number = 151
Number of atoms found = 1049
Mean number per residue = 6.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.4555E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.8219E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9177E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2312E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.5910E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3.207
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 4.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 4.475
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 4.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 5.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 5.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 5.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 6.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 6.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 7.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 7.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 7.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 7.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 8.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 8.319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 8.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 8.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 9.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 9.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 22.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 22.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 22.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 23.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 23.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 24.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 24.37
Bfactors> 106 vectors, 3147 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 : 0.024555
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= -0.360 for 151 C-alpha atoms.
Bfactors> = 1.993 +/- 4.21
Bfactors> = 32.347 +/- 5.01
Bfactors> Shiftng-fct= 30.353
Bfactors> Scaling-fct= 1.190
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240123140727138364 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=0
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=100
240123140727138364.eigenfacs
240123140727138364.atom
making animated gifs
11 models are in 240123140727138364.7.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 240123140727138364.7.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 240123140727138364.7.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 240123140727138364 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=0
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=100
240123140727138364.eigenfacs
240123140727138364.atom
making animated gifs
11 models are in 240123140727138364.8.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 240123140727138364.8.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 240123140727138364.8.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 240123140727138364 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=0
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=100
240123140727138364.eigenfacs
240123140727138364.atom
making animated gifs
11 models are in 240123140727138364.9.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 240123140727138364.9.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 240123140727138364.9.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 240123140727138364 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=0
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=100
240123140727138364.eigenfacs
240123140727138364.atom
making animated gifs
11 models are in 240123140727138364.10.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 240123140727138364.10.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 240123140727138364.10.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 240123140727138364 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=-20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=0
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=20
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=40
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=60
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=80
240123140727138364.eigenfacs
240123140727138364.atom
calculating perturbed structure for DQ=100
240123140727138364.eigenfacs
240123140727138364.atom
making animated gifs
11 models are in 240123140727138364.11.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 240123140727138364.11.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 240123140727138364.11.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
240123140727138364.10.pdb
240123140727138364.11.pdb
240123140727138364.7.pdb
240123140727138364.8.pdb
240123140727138364.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m10.149s
user 0m10.129s
sys 0m0.020s
../../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: 240123140727138364.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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