*** ***
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 = 2404061813512701385.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 2404061813512701385.atom to be opened.
Openam> File opened: 2404061813512701385.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 = 460
First residue number = 2
Last residue number = 465
Number of atoms found = 3460
Mean number per residue = 7.5
Pdbmat> Coordinate statistics:
= 107.764079 +/- 18.729137 From: 70.629000 To: 145.828000
= 111.673553 +/- 13.468499 From: 75.124000 To: 140.494000
= 113.737189 +/- 9.429958 From: 89.385000 To: 135.321000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.6171 % Filled.
Pdbmat> 1410043 non-zero elements.
Pdbmat> 154402 atom-atom interactions.
Pdbmat> Number per atom= 89.25 +/- 25.09
Maximum number = 138
Minimum number = 19
Pdbmat> Matrix trace = 3.088040E+06
Pdbmat> Larger element = 505.416
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
460 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 = 2404061813512701385.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 2404061813512701385.atom to be opened.
Openam> file on opening on unit 11:
2404061813512701385.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3460 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> 460 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 17 atoms in block 2
Block first atom: 20
Blocpdb> 24 atoms in block 3
Block first atom: 37
Blocpdb> 25 atoms in block 4
Block first atom: 61
Blocpdb> 24 atoms in block 5
Block first atom: 86
Blocpdb> 17 atoms in block 6
Block first atom: 110
Blocpdb> 25 atoms in block 7
Block first atom: 127
Blocpdb> 18 atoms in block 8
Block first atom: 152
Blocpdb> 21 atoms in block 9
Block first atom: 170
Blocpdb> 22 atoms in block 10
Block first atom: 191
Blocpdb> 25 atoms in block 11
Block first atom: 213
Blocpdb> 22 atoms in block 12
Block first atom: 238
Blocpdb> 24 atoms in block 13
Block first atom: 260
Blocpdb> 21 atoms in block 14
Block first atom: 284
Blocpdb> 22 atoms in block 15
Block first atom: 305
Blocpdb> 24 atoms in block 16
Block first atom: 327
Blocpdb> 25 atoms in block 17
Block first atom: 351
Blocpdb> 21 atoms in block 18
Block first atom: 376
Blocpdb> 22 atoms in block 19
Block first atom: 397
Blocpdb> 27 atoms in block 20
Block first atom: 419
Blocpdb> 20 atoms in block 21
Block first atom: 446
Blocpdb> 26 atoms in block 22
Block first atom: 466
Blocpdb> 24 atoms in block 23
Block first atom: 492
Blocpdb> 24 atoms in block 24
Block first atom: 516
Blocpdb> 25 atoms in block 25
Block first atom: 540
Blocpdb> 28 atoms in block 26
Block first atom: 565
Blocpdb> 22 atoms in block 27
Block first atom: 593
Blocpdb> 26 atoms in block 28
Block first atom: 615
Blocpdb> 23 atoms in block 29
Block first atom: 641
Blocpdb> 16 atoms in block 30
Block first atom: 664
Blocpdb> 13 atoms in block 31
Block first atom: 680
Blocpdb> 19 atoms in block 32
Block first atom: 693
Blocpdb> 17 atoms in block 33
Block first atom: 712
Blocpdb> 24 atoms in block 34
Block first atom: 729
Blocpdb> 25 atoms in block 35
Block first atom: 753
Blocpdb> 24 atoms in block 36
Block first atom: 778
Blocpdb> 17 atoms in block 37
Block first atom: 802
Blocpdb> 25 atoms in block 38
Block first atom: 819
Blocpdb> 18 atoms in block 39
Block first atom: 844
Blocpdb> 21 atoms in block 40
Block first atom: 862
Blocpdb> 22 atoms in block 41
Block first atom: 883
Blocpdb> 25 atoms in block 42
Block first atom: 905
Blocpdb> 22 atoms in block 43
Block first atom: 930
Blocpdb> 24 atoms in block 44
Block first atom: 952
Blocpdb> 21 atoms in block 45
Block first atom: 976
Blocpdb> 22 atoms in block 46
Block first atom: 997
Blocpdb> 24 atoms in block 47
Block first atom: 1019
Blocpdb> 25 atoms in block 48
Block first atom: 1043
Blocpdb> 21 atoms in block 49
Block first atom: 1068
Blocpdb> 22 atoms in block 50
Block first atom: 1089
Blocpdb> 27 atoms in block 51
Block first atom: 1111
Blocpdb> 20 atoms in block 52
Block first atom: 1138
Blocpdb> 26 atoms in block 53
Block first atom: 1158
Blocpdb> 24 atoms in block 54
Block first atom: 1184
Blocpdb> 24 atoms in block 55
Block first atom: 1208
Blocpdb> 25 atoms in block 56
Block first atom: 1232
Blocpdb> 28 atoms in block 57
Block first atom: 1257
Blocpdb> 22 atoms in block 58
Block first atom: 1285
Blocpdb> 26 atoms in block 59
Block first atom: 1307
Blocpdb> 23 atoms in block 60
Block first atom: 1333
Blocpdb> 16 atoms in block 61
Block first atom: 1356
Blocpdb> 13 atoms in block 62
Block first atom: 1372
Blocpdb> 19 atoms in block 63
Block first atom: 1385
Blocpdb> 17 atoms in block 64
Block first atom: 1404
Blocpdb> 24 atoms in block 65
Block first atom: 1421
Blocpdb> 25 atoms in block 66
Block first atom: 1445
Blocpdb> 24 atoms in block 67
Block first atom: 1470
Blocpdb> 17 atoms in block 68
Block first atom: 1494
Blocpdb> 25 atoms in block 69
Block first atom: 1511
Blocpdb> 18 atoms in block 70
Block first atom: 1536
Blocpdb> 21 atoms in block 71
Block first atom: 1554
Blocpdb> 22 atoms in block 72
Block first atom: 1575
Blocpdb> 25 atoms in block 73
Block first atom: 1597
Blocpdb> 22 atoms in block 74
Block first atom: 1622
Blocpdb> 24 atoms in block 75
Block first atom: 1644
Blocpdb> 21 atoms in block 76
Block first atom: 1668
Blocpdb> 22 atoms in block 77
Block first atom: 1689
Blocpdb> 24 atoms in block 78
Block first atom: 1711
Blocpdb> 25 atoms in block 79
Block first atom: 1735
Blocpdb> 21 atoms in block 80
Block first atom: 1760
Blocpdb> 22 atoms in block 81
Block first atom: 1781
Blocpdb> 27 atoms in block 82
Block first atom: 1803
Blocpdb> 20 atoms in block 83
Block first atom: 1830
Blocpdb> 26 atoms in block 84
Block first atom: 1850
Blocpdb> 24 atoms in block 85
Block first atom: 1876
Blocpdb> 24 atoms in block 86
Block first atom: 1900
Blocpdb> 25 atoms in block 87
Block first atom: 1924
Blocpdb> 28 atoms in block 88
Block first atom: 1949
Blocpdb> 22 atoms in block 89
Block first atom: 1977
Blocpdb> 26 atoms in block 90
Block first atom: 1999
Blocpdb> 23 atoms in block 91
Block first atom: 2025
Blocpdb> 16 atoms in block 92
Block first atom: 2048
Blocpdb> 13 atoms in block 93
Block first atom: 2064
Blocpdb> 19 atoms in block 94
Block first atom: 2077
Blocpdb> 17 atoms in block 95
Block first atom: 2096
Blocpdb> 24 atoms in block 96
Block first atom: 2113
Blocpdb> 25 atoms in block 97
Block first atom: 2137
Blocpdb> 24 atoms in block 98
Block first atom: 2162
Blocpdb> 17 atoms in block 99
Block first atom: 2186
Blocpdb> 25 atoms in block 100
Block first atom: 2203
Blocpdb> 18 atoms in block 101
Block first atom: 2228
Blocpdb> 21 atoms in block 102
Block first atom: 2246
Blocpdb> 22 atoms in block 103
Block first atom: 2267
Blocpdb> 25 atoms in block 104
Block first atom: 2289
Blocpdb> 22 atoms in block 105
Block first atom: 2314
Blocpdb> 24 atoms in block 106
Block first atom: 2336
Blocpdb> 21 atoms in block 107
Block first atom: 2360
Blocpdb> 22 atoms in block 108
Block first atom: 2381
Blocpdb> 24 atoms in block 109
Block first atom: 2403
Blocpdb> 25 atoms in block 110
Block first atom: 2427
Blocpdb> 21 atoms in block 111
Block first atom: 2452
Blocpdb> 22 atoms in block 112
Block first atom: 2473
Blocpdb> 27 atoms in block 113
Block first atom: 2495
Blocpdb> 20 atoms in block 114
Block first atom: 2522
Blocpdb> 26 atoms in block 115
Block first atom: 2542
Blocpdb> 24 atoms in block 116
Block first atom: 2568
Blocpdb> 24 atoms in block 117
Block first atom: 2592
Blocpdb> 25 atoms in block 118
Block first atom: 2616
Blocpdb> 28 atoms in block 119
Block first atom: 2641
Blocpdb> 22 atoms in block 120
Block first atom: 2669
Blocpdb> 26 atoms in block 121
Block first atom: 2691
Blocpdb> 23 atoms in block 122
Block first atom: 2717
Blocpdb> 16 atoms in block 123
Block first atom: 2740
Blocpdb> 13 atoms in block 124
Block first atom: 2756
Blocpdb> 19 atoms in block 125
Block first atom: 2769
Blocpdb> 17 atoms in block 126
Block first atom: 2788
Blocpdb> 24 atoms in block 127
Block first atom: 2805
Blocpdb> 25 atoms in block 128
Block first atom: 2829
Blocpdb> 24 atoms in block 129
Block first atom: 2854
Blocpdb> 17 atoms in block 130
Block first atom: 2878
Blocpdb> 25 atoms in block 131
Block first atom: 2895
Blocpdb> 18 atoms in block 132
Block first atom: 2920
Blocpdb> 21 atoms in block 133
Block first atom: 2938
Blocpdb> 22 atoms in block 134
Block first atom: 2959
Blocpdb> 25 atoms in block 135
Block first atom: 2981
Blocpdb> 22 atoms in block 136
Block first atom: 3006
Blocpdb> 24 atoms in block 137
Block first atom: 3028
Blocpdb> 21 atoms in block 138
Block first atom: 3052
Blocpdb> 22 atoms in block 139
Block first atom: 3073
Blocpdb> 24 atoms in block 140
Block first atom: 3095
Blocpdb> 25 atoms in block 141
Block first atom: 3119
Blocpdb> 21 atoms in block 142
Block first atom: 3144
Blocpdb> 22 atoms in block 143
Block first atom: 3165
Blocpdb> 27 atoms in block 144
Block first atom: 3187
Blocpdb> 20 atoms in block 145
Block first atom: 3214
Blocpdb> 26 atoms in block 146
Block first atom: 3234
Blocpdb> 24 atoms in block 147
Block first atom: 3260
Blocpdb> 24 atoms in block 148
Block first atom: 3284
Blocpdb> 25 atoms in block 149
Block first atom: 3308
Blocpdb> 28 atoms in block 150
Block first atom: 3333
Blocpdb> 22 atoms in block 151
Block first atom: 3361
Blocpdb> 26 atoms in block 152
Block first atom: 3383
Blocpdb> 23 atoms in block 153
Block first atom: 3409
Blocpdb> 16 atoms in block 154
Block first atom: 3432
Blocpdb> 13 atoms in block 155
Block first atom: 3447
Blocpdb> 155 blocks.
Blocpdb> At most, 28 atoms in each of them.
Blocpdb> At least, 13 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> 1410198 matrix lines read.
Prepmat> Matrix order = 10380
Prepmat> Matrix trace = 3088040.0000
Prepmat> Last element read: 10380 10380 82.8069
Prepmat> 12091 lines saved.
Prepmat> 10487 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: 3460
RTB> Total mass = 3460.0000
RTB> Number of atoms found in matrix: 3460
RTB> Number of blocks = 155
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 225439.2959
RTB> 55383 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 = 930
Diagstd> Nb of non-zero elements: 55383
Diagstd> Projected matrix trace = 225439.2959
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 930 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 225439.2959
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 0.8633164 1.0248639 1.7273734 2.2696192
2.8283892 3.6881991 5.4654875 5.6317959 7.4628684
8.6017115 9.3674816 9.7710596 11.4306545 13.1076478
14.1744434 14.4012183 16.6043413 19.0363110 20.1220638
21.3566185 21.8374970 22.5827490 23.9383059 24.5090405
25.6354962 27.6075564 29.1876328 29.2715524 29.9169837
30.8040098 31.9720948 33.2534716 33.2986280 33.9706857
34.5324671 34.7921509 35.7927812 37.0908449 37.3014447
37.6873939 39.5223460 40.7482281 40.9817146 41.5838710
42.5139372 42.9605507 43.3463377 43.9791431 44.5374451
45.8665285 46.8895016 47.5466865 48.5296558 49.0892618
49.8805763 50.5823530 50.9112988 51.0816237 52.2087366
53.3298516 53.7489871 54.1834940 54.6173236 55.4145418
56.4016684 57.2236690 57.5226165 57.8689733 58.0347747
59.1144726 59.3970038 60.4074196 61.7296738 62.9629476
63.8082011 64.6344277 64.9600009 65.2980684 65.7698348
66.2550506 66.9376610 68.6101839 68.8757147 69.3586396
70.3017162 70.7347915 71.2441606 72.1609636 72.2856258
72.4605108 72.8069835 72.9326426 74.0327070 74.7807282
75.4790444 75.6071526 76.2605834 76.8000116 77.7199904
77.8724251
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034335 0.0034338 0.0034342 0.0034349 0.0034357
0.0034359 100.8974700 109.9330755 142.7211671 163.5956590
182.6269487 208.5462862 253.8690350 257.7025602 296.6526086
318.4840713 332.3584340 339.4424180 367.1392605 393.1494412
408.8352064 412.0926766 442.4926960 473.7908573 487.1150425
501.8356676 507.4540338 516.0403769 531.3026551 537.5989782
549.8144432 570.5704353 586.6711305 587.5139164 593.9558753
602.6968295 614.0176095 626.2010279 626.6260568 632.9179854
638.1298842 640.5247557 649.6702848 661.3458661 663.2207516
666.6430164 682.6791483 693.1857795 695.1689130 700.2574498
708.0451356 711.7544648 714.9431100 720.1428646 724.6994473
735.4331736 743.5892258 748.7820219 756.4825002 760.8315806
766.9393330 772.3155769 774.8227584 776.1177698 784.6335468
793.0132937 796.1234613 799.3349160 802.5285429 808.3643525
815.5324677 821.4537756 823.5966977 826.0725078 827.2550587
834.9148580 836.9076724 843.9960661 853.1831529 861.6637165
867.4281879 873.0261135 875.2221320 877.4966103 880.6607805
883.9033407 888.4449980 899.4759835 901.2148506 904.3687842
910.4964224 913.2965543 916.5790303 922.4576612 923.2541169
924.3702847 926.5776051 927.3768600 934.3446327 939.0530446
943.4273816 944.2276667 948.2991079 951.6470878 957.3299574
958.2683185
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3460
Rtb_to_modes> Number of blocs = 155
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: 9.9972E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0012E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.8633
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.025
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.727
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.270
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.828
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.688
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.465
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.632
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.463
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.602
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.367
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.771
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.43
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.11
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 14.17
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.40
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.60
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.04
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.12
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.84
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 22.58
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.94
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.51
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.64
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 27.61
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 29.19
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 29.27
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 29.92
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.80
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 31.97
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 33.25
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 33.30
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.97
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.53
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 34.79
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 35.79
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 37.09
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.30
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 37.69
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 39.52
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 40.75
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 40.98
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.58
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.51
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 42.96
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.35
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.98
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 44.54
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.87
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 46.89
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 47.55
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 48.53
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 49.09
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 49.88
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 50.58
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 50.91
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 51.08
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 52.21
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 53.33
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 53.75
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 54.18
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 54.62
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 55.41
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 56.40
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 57.22
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 57.52
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 57.87
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 58.03
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 59.11
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 59.40
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 60.41
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 61.73
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 62.96
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.81
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 64.63
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.96
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 65.30
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 65.77
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 66.26
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 66.94
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 68.61
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 68.88
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 69.36
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 70.30
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 70.73
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 71.24
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 72.16
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 72.29
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 72.46
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 72.81
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 72.93
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 74.03
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 74.78
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 75.48
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 75.61
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 76.26
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 76.80
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 77.72
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 77.87
Rtb_to_modes> 106 vectors, with 930 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 1.00002 1.00003 1.00000
0.99998 0.99998 1.00000 0.99994 0.99998
1.00003 1.00001 1.00000 0.99998 1.00000
1.00001 1.00001 1.00000 1.00002 1.00000
0.99998 1.00000 1.00001 1.00000 1.00001
1.00000 1.00000 0.99999 0.99999 1.00000
0.99998 1.00003 1.00001 1.00000 0.99999
0.99999 1.00001 1.00001 0.99999 0.99999
1.00000 0.99999 0.99999 0.99999 0.99999
1.00001 1.00001 0.99998 1.00000 0.99999
0.99999 0.99999 1.00000 1.00000 0.99998
0.99998 0.99999 1.00002 0.99997 0.99997
0.99998 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00000 0.99998 1.00000
1.00001 0.99998 1.00002 1.00001 0.99999
0.99998 1.00001 1.00001 0.99999 1.00000
1.00001 1.00000 1.00000 1.00002 1.00002
0.99997 1.00001 1.00001 1.00001 1.00004
1.00003 1.00001 0.99999 1.00003 0.99999
1.00000 1.00000 1.00002 0.99998 1.00000
1.00001 0.99999 0.99999 0.99999 0.99998
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 62280 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 1.00002 1.00003 1.00000
0.99998 0.99998 1.00000 0.99994 0.99998
1.00003 1.00001 1.00000 0.99998 1.00000
1.00001 1.00001 1.00000 1.00002 1.00000
0.99998 1.00000 1.00001 1.00000 1.00001
1.00000 1.00000 0.99999 0.99999 1.00000
0.99998 1.00003 1.00001 1.00000 0.99999
0.99999 1.00001 1.00001 0.99999 0.99999
1.00000 0.99999 0.99999 0.99999 0.99999
1.00001 1.00001 0.99998 1.00000 0.99999
0.99999 0.99999 1.00000 1.00000 0.99998
0.99998 0.99999 1.00002 0.99997 0.99997
0.99998 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00000 0.99998 1.00000
1.00001 0.99998 1.00002 1.00001 0.99999
0.99998 1.00001 1.00001 0.99999 1.00000
1.00001 1.00000 1.00000 1.00002 1.00002
0.99997 1.00001 1.00001 1.00001 1.00004
1.00003 1.00001 0.99999 1.00003 0.99999
1.00000 1.00000 1.00002 0.99998 1.00000
1.00001 0.99999 0.99999 0.99999 0.99998
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5:-0.000-0.000-0.000-0.000
Vector 6: 0.000-0.000 0.000-0.000-0.000
Vector 7:-0.000 0.000-0.000-0.000 0.000-0.000
Vector 8: 0.000-0.000-0.000-0.000-0.000 0.000-0.000
Vector 9: 0.000 0.000 0.000-0.000-0.000 0.000 0.000-0.000
Vector 10: 0.000-0.000 0.000 0.000-0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404061813512701385.eigenfacs
Openam> file on opening on unit 10:
2404061813512701385.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404061813512701385.atom
Openam> file on opening on unit 11:
2404061813512701385.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 = 460
First residue number = 2
Last residue number = 465
Number of atoms found = 3460
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: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.632
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 14.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 22.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 27.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 29.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 29.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 29.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 31.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 33.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 33.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 34.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 35.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 37.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 37.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 39.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 40.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 40.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 42.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 44.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 45.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 46.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 47.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 48.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 49.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 49.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 50.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 50.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 51.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 52.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 53.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 53.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 54.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 54.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 55.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 56.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 57.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 57.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 57.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 58.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 59.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 59.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 60.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 61.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 62.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 64.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 65.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 65.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 66.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 66.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 68.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 68.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 69.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 70.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 70.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 71.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 72.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 72.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 72.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 72.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 72.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 74.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 74.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 75.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 75.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 76.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 76.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 77.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 77.87
Bfactors> 106 vectors, 10380 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 : 0.863300
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= 0.759 for 460 C-alpha atoms.
Bfactors> = 0.030 +/- 0.04
Bfactors> = 37.018 +/- 13.50
Bfactors> Shiftng-fct= 36.988
Bfactors> Scaling-fct= 348.466
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404061813512701385 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=0
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=100
2404061813512701385.eigenfacs
2404061813512701385.atom
making animated gifs
11 models are in 2404061813512701385.7.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 2404061813512701385.7.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 2404061813512701385.7.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 2404061813512701385 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=0
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=100
2404061813512701385.eigenfacs
2404061813512701385.atom
making animated gifs
11 models are in 2404061813512701385.8.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 2404061813512701385.8.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 2404061813512701385.8.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 2404061813512701385 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=0
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=100
2404061813512701385.eigenfacs
2404061813512701385.atom
making animated gifs
11 models are in 2404061813512701385.9.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 2404061813512701385.9.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 2404061813512701385.9.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 2404061813512701385 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=0
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=100
2404061813512701385.eigenfacs
2404061813512701385.atom
making animated gifs
11 models are in 2404061813512701385.10.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 2404061813512701385.10.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 2404061813512701385.10.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 2404061813512701385 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=-20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=0
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=20
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=40
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=60
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=80
2404061813512701385.eigenfacs
2404061813512701385.atom
calculating perturbed structure for DQ=100
2404061813512701385.eigenfacs
2404061813512701385.atom
making animated gifs
11 models are in 2404061813512701385.11.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 2404061813512701385.11.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 2404061813512701385.11.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
2404061813512701385.10.pdb
2404061813512701385.11.pdb
2404061813512701385.7.pdb
2404061813512701385.8.pdb
2404061813512701385.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.283s
user 0m15.181s
sys 0m0.080s
../../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: 2404061813512701385.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
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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