*** ***
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 = 2404101804023332396.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 2404101804023332396.atom to be opened.
Openam> File opened: 2404101804023332396.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 = 350
First residue number = 0
Last residue number = 350
Number of atoms found = 2772
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 11.879614 +/- 8.471424 From: -13.054000 To: 33.228000
= 2.036144 +/- 11.659556 From: -28.616000 To: 27.046000
= 22.356505 +/- 20.816754 From: -12.786000 To: 61.996000
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 2.8324 % Filled.
Pdbmat> 979492 non-zero elements.
Pdbmat> 107005 atom-atom interactions.
Pdbmat> Number per atom= 77.20 +/- 21.56
Maximum number = 124
Minimum number = 14
Pdbmat> Matrix trace = 2.140100E+06
Pdbmat> Larger element = 506.918
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
350 non-zero elements, NRBL set to 2
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 = 2404101804023332396.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2404101804023332396.atom to be opened.
Openam> file on opening on unit 11:
2404101804023332396.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2772 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 350 residues.
Blocpdb> 13 atoms in block 1
Block first atom: 1
Blocpdb> 20 atoms in block 2
Block first atom: 14
Blocpdb> 15 atoms in block 3
Block first atom: 34
Blocpdb> 20 atoms in block 4
Block first atom: 49
Blocpdb> 15 atoms in block 5
Block first atom: 69
Blocpdb> 17 atoms in block 6
Block first atom: 84
Blocpdb> 18 atoms in block 7
Block first atom: 101
Blocpdb> 14 atoms in block 8
Block first atom: 119
Blocpdb> 12 atoms in block 9
Block first atom: 133
Blocpdb> 17 atoms in block 10
Block first atom: 145
Blocpdb> 14 atoms in block 11
Block first atom: 162
Blocpdb> 12 atoms in block 12
Block first atom: 176
Blocpdb> 30 atoms in block 13
Block first atom: 188
Blocpdb> 12 atoms in block 14
Block first atom: 218
Blocpdb> 24 atoms in block 15
Block first atom: 230
Blocpdb> 17 atoms in block 16
Block first atom: 254
Blocpdb> 14 atoms in block 17
Block first atom: 271
Blocpdb> 15 atoms in block 18
Block first atom: 285
Blocpdb> 11 atoms in block 19
Block first atom: 300
Blocpdb> 15 atoms in block 20
Block first atom: 311
Blocpdb> 14 atoms in block 21
Block first atom: 326
Blocpdb> 16 atoms in block 22
Block first atom: 340
Blocpdb> 12 atoms in block 23
Block first atom: 356
Blocpdb> 22 atoms in block 24
Block first atom: 368
Blocpdb> 17 atoms in block 25
Block first atom: 390
Blocpdb> 17 atoms in block 26
Block first atom: 407
Blocpdb> 13 atoms in block 27
Block first atom: 424
Blocpdb> 14 atoms in block 28
Block first atom: 437
Blocpdb> 17 atoms in block 29
Block first atom: 451
Blocpdb> 19 atoms in block 30
Block first atom: 468
Blocpdb> 20 atoms in block 31
Block first atom: 487
Blocpdb> 20 atoms in block 32
Block first atom: 507
Blocpdb> 16 atoms in block 33
Block first atom: 527
Blocpdb> 13 atoms in block 34
Block first atom: 543
Blocpdb> 20 atoms in block 35
Block first atom: 556
Blocpdb> 17 atoms in block 36
Block first atom: 576
Blocpdb> 16 atoms in block 37
Block first atom: 593
Blocpdb> 14 atoms in block 38
Block first atom: 609
Blocpdb> 17 atoms in block 39
Block first atom: 623
Blocpdb> 15 atoms in block 40
Block first atom: 640
Blocpdb> 16 atoms in block 41
Block first atom: 655
Blocpdb> 16 atoms in block 42
Block first atom: 671
Blocpdb> 20 atoms in block 43
Block first atom: 687
Blocpdb> 19 atoms in block 44
Block first atom: 707
Blocpdb> 15 atoms in block 45
Block first atom: 726
Blocpdb> 20 atoms in block 46
Block first atom: 741
Blocpdb> 17 atoms in block 47
Block first atom: 761
Blocpdb> 15 atoms in block 48
Block first atom: 778
Blocpdb> 16 atoms in block 49
Block first atom: 793
Blocpdb> 17 atoms in block 50
Block first atom: 809
Blocpdb> 15 atoms in block 51
Block first atom: 826
Blocpdb> 19 atoms in block 52
Block first atom: 841
Blocpdb> 16 atoms in block 53
Block first atom: 860
Blocpdb> 18 atoms in block 54
Block first atom: 876
Blocpdb> 17 atoms in block 55
Block first atom: 894
Blocpdb> 15 atoms in block 56
Block first atom: 911
Blocpdb> 17 atoms in block 57
Block first atom: 926
Blocpdb> 15 atoms in block 58
Block first atom: 943
Blocpdb> 16 atoms in block 59
Block first atom: 958
Blocpdb> 16 atoms in block 60
Block first atom: 974
Blocpdb> 19 atoms in block 61
Block first atom: 990
Blocpdb> 17 atoms in block 62
Block first atom: 1009
Blocpdb> 21 atoms in block 63
Block first atom: 1026
Blocpdb> 16 atoms in block 64
Block first atom: 1047
Blocpdb> 13 atoms in block 65
Block first atom: 1063
Blocpdb> 19 atoms in block 66
Block first atom: 1076
Blocpdb> 13 atoms in block 67
Block first atom: 1095
Blocpdb> 14 atoms in block 68
Block first atom: 1108
Blocpdb> 13 atoms in block 69
Block first atom: 1122
Blocpdb> 15 atoms in block 70
Block first atom: 1135
Blocpdb> 15 atoms in block 71
Block first atom: 1150
Blocpdb> 16 atoms in block 72
Block first atom: 1165
Blocpdb> 12 atoms in block 73
Block first atom: 1181
Blocpdb> 14 atoms in block 74
Block first atom: 1193
Blocpdb> 20 atoms in block 75
Block first atom: 1207
Blocpdb> 17 atoms in block 76
Block first atom: 1227
Blocpdb> 18 atoms in block 77
Block first atom: 1244
Blocpdb> 17 atoms in block 78
Block first atom: 1262
Blocpdb> 16 atoms in block 79
Block first atom: 1279
Blocpdb> 13 atoms in block 80
Block first atom: 1295
Blocpdb> 17 atoms in block 81
Block first atom: 1308
Blocpdb> 18 atoms in block 82
Block first atom: 1325
Blocpdb> 14 atoms in block 83
Block first atom: 1343
Blocpdb> 17 atoms in block 84
Block first atom: 1357
Blocpdb> 14 atoms in block 85
Block first atom: 1374
Blocpdb> 18 atoms in block 86
Block first atom: 1388
Blocpdb> 14 atoms in block 87
Block first atom: 1406
Blocpdb> 13 atoms in block 88
Block first atom: 1420
Blocpdb> 15 atoms in block 89
Block first atom: 1433
Blocpdb> 18 atoms in block 90
Block first atom: 1448
Blocpdb> 17 atoms in block 91
Block first atom: 1466
Blocpdb> 13 atoms in block 92
Block first atom: 1483
Blocpdb> 12 atoms in block 93
Block first atom: 1496
Blocpdb> 16 atoms in block 94
Block first atom: 1508
Blocpdb> 18 atoms in block 95
Block first atom: 1524
Blocpdb> 13 atoms in block 96
Block first atom: 1542
Blocpdb> 13 atoms in block 97
Block first atom: 1555
Blocpdb> 14 atoms in block 98
Block first atom: 1568
Blocpdb> 20 atoms in block 99
Block first atom: 1582
Blocpdb> 12 atoms in block 100
Block first atom: 1602
Blocpdb> 14 atoms in block 101
Block first atom: 1614
Blocpdb> 15 atoms in block 102
Block first atom: 1628
Blocpdb> 17 atoms in block 103
Block first atom: 1643
Blocpdb> 19 atoms in block 104
Block first atom: 1660
Blocpdb> 12 atoms in block 105
Block first atom: 1679
Blocpdb> 11 atoms in block 106
Block first atom: 1691
Blocpdb> 17 atoms in block 107
Block first atom: 1702
Blocpdb> 13 atoms in block 108
Block first atom: 1719
Blocpdb> 14 atoms in block 109
Block first atom: 1732
Blocpdb> 14 atoms in block 110
Block first atom: 1746
Blocpdb> 16 atoms in block 111
Block first atom: 1760
Blocpdb> 21 atoms in block 112
Block first atom: 1776
Blocpdb> 17 atoms in block 113
Block first atom: 1797
Blocpdb> 17 atoms in block 114
Block first atom: 1814
Blocpdb> 19 atoms in block 115
Block first atom: 1831
Blocpdb> 14 atoms in block 116
Block first atom: 1850
Blocpdb> 12 atoms in block 117
Block first atom: 1864
Blocpdb> 13 atoms in block 118
Block first atom: 1876
Blocpdb> 13 atoms in block 119
Block first atom: 1889
Blocpdb> 19 atoms in block 120
Block first atom: 1902
Blocpdb> 15 atoms in block 121
Block first atom: 1921
Blocpdb> 18 atoms in block 122
Block first atom: 1936
Blocpdb> 12 atoms in block 123
Block first atom: 1954
Blocpdb> 12 atoms in block 124
Block first atom: 1966
Blocpdb> 14 atoms in block 125
Block first atom: 1978
Blocpdb> 13 atoms in block 126
Block first atom: 1992
Blocpdb> 15 atoms in block 127
Block first atom: 2005
Blocpdb> 13 atoms in block 128
Block first atom: 2020
Blocpdb> 16 atoms in block 129
Block first atom: 2033
Blocpdb> 10 atoms in block 130
Block first atom: 2049
Blocpdb> 13 atoms in block 131
Block first atom: 2059
Blocpdb> 20 atoms in block 132
Block first atom: 2072
Blocpdb> 20 atoms in block 133
Block first atom: 2092
Blocpdb> 15 atoms in block 134
Block first atom: 2112
Blocpdb> 12 atoms in block 135
Block first atom: 2127
Blocpdb> 13 atoms in block 136
Block first atom: 2139
Blocpdb> 15 atoms in block 137
Block first atom: 2152
Blocpdb> 12 atoms in block 138
Block first atom: 2167
Blocpdb> 16 atoms in block 139
Block first atom: 2179
Blocpdb> 17 atoms in block 140
Block first atom: 2195
Blocpdb> 13 atoms in block 141
Block first atom: 2212
Blocpdb> 18 atoms in block 142
Block first atom: 2225
Blocpdb> 17 atoms in block 143
Block first atom: 2243
Blocpdb> 15 atoms in block 144
Block first atom: 2260
Blocpdb> 13 atoms in block 145
Block first atom: 2275
Blocpdb> 18 atoms in block 146
Block first atom: 2288
Blocpdb> 12 atoms in block 147
Block first atom: 2306
Blocpdb> 16 atoms in block 148
Block first atom: 2318
Blocpdb> 17 atoms in block 149
Block first atom: 2334
Blocpdb> 11 atoms in block 150
Block first atom: 2351
Blocpdb> 16 atoms in block 151
Block first atom: 2362
Blocpdb> 20 atoms in block 152
Block first atom: 2378
Blocpdb> 19 atoms in block 153
Block first atom: 2398
Blocpdb> 22 atoms in block 154
Block first atom: 2417
Blocpdb> 15 atoms in block 155
Block first atom: 2439
Blocpdb> 14 atoms in block 156
Block first atom: 2454
Blocpdb> 17 atoms in block 157
Block first atom: 2468
Blocpdb> 13 atoms in block 158
Block first atom: 2485
Blocpdb> 15 atoms in block 159
Block first atom: 2498
Blocpdb> 15 atoms in block 160
Block first atom: 2513
Blocpdb> 16 atoms in block 161
Block first atom: 2528
Blocpdb> 20 atoms in block 162
Block first atom: 2544
Blocpdb> 14 atoms in block 163
Block first atom: 2564
Blocpdb> 16 atoms in block 164
Block first atom: 2578
Blocpdb> 17 atoms in block 165
Block first atom: 2594
Blocpdb> 18 atoms in block 166
Block first atom: 2611
Blocpdb> 15 atoms in block 167
Block first atom: 2629
Blocpdb> 6 atoms in block 168
Block first atom: 2644
Blocpdb> 12 atoms in block 169
Block first atom: 2650
Blocpdb> 17 atoms in block 170
Block first atom: 2662
Blocpdb> 16 atoms in block 171
Block first atom: 2679
Blocpdb> 16 atoms in block 172
Block first atom: 2695
Blocpdb> 14 atoms in block 173
Block first atom: 2711
Blocpdb> 20 atoms in block 174
Block first atom: 2725
Blocpdb> 20 atoms in block 175
Block first atom: 2745
Blocpdb> 8 atoms in block 176
Block first atom: 2764
Blocpdb> 176 blocks.
Blocpdb> At most, 30 atoms in each of them.
Blocpdb> At least, 6 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 979668 matrix lines read.
Prepmat> Matrix order = 8316
Prepmat> Matrix trace = 2140100.0000
Prepmat> Last element read: 8316 8316 233.5980
Prepmat> 15577 lines saved.
Prepmat> 13833 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: 2772
RTB> Total mass = 2772.0000
RTB> Number of atoms found in matrix: 2772
RTB> Number of blocks = 176
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 226267.5516
RTB> 60108 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 = 1056
Diagstd> Nb of non-zero elements: 60108
Diagstd> Projected matrix trace = 226267.5516
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1056 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 226267.5516
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 0.0667966 0.1162185 0.1619927 1.1289354
1.6499319 2.1099097 2.1635551 2.7422848 3.4287158
4.0875197 4.3829150 4.7969934 6.0837750 6.7844408
8.1689102 8.6391478 9.3564265 9.9724223 10.4546001
11.3498202 12.3687310 12.7603744 13.0440667 14.0111689
14.3234642 14.6158514 15.1746017 15.8122494 16.4629877
16.9100394 17.2294283 17.7569450 18.2760093 19.3535959
20.2689804 20.8549951 21.6491200 21.8892478 22.4793277
23.0835446 23.8873540 24.0000762 25.3795957 26.3310410
26.9877817 27.3776555 27.8966187 28.3785113 29.0139422
30.0883970 30.3850541 30.7950604 31.0467882 31.7187958
32.3775721 32.8800255 33.4872962 33.7070545 34.2225986
34.6968027 35.1495351 35.5861304 36.2257054 36.4578165
36.7492104 37.3424249 38.2546207 38.3787057 38.6682380
39.7390616 40.1986117 40.5571776 40.8289574 41.7924994
41.8413994 42.7886387 43.0752101 43.2828986 43.9051384
44.4534296 45.0935185 45.3160593 47.1789504 47.2505331
47.7482211 48.5053245 49.1199010 49.4045569 49.9829688
50.5773664 51.1272035 51.8234987 52.6439047 53.3359284
53.6676103 54.0399283 54.3851018 54.8441440 55.3572677
55.5804014
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034314 0.0034319 0.0034325 0.0034329
0.0034352 28.0654738 37.0197075 43.7062001 115.3798114
139.4852503 157.7346889 159.7273389 179.8256183 201.0763653
219.5458377 227.3404956 237.8372316 267.8439562 282.8474767
310.3682886 319.1763700 332.1622583 342.9222069 351.1146850
365.8388063 381.9072057 387.9064393 392.1947584 406.4737126
410.9787003 415.1521965 423.0132112 431.8094158 440.6051888
446.5474252 450.7447879 457.5930344 464.2329531 477.7229602
488.8900875 495.9071001 505.2605657 508.0549641 514.8573772
521.7308638 530.7369239 531.9876993 547.0633621 557.2233346
564.1295823 568.1897666 573.5497084 578.4823131 584.9229361
595.6550188 598.5842529 602.6092728 605.0672125 611.5804950
617.8988973 622.6748908 628.3987635 630.4573059 635.2603831
639.6464717 643.8060790 647.7921239 653.5874523 655.6779932
658.2930744 663.5849666 671.6410480 672.7294534 675.2622500
684.5482809 688.4950267 691.5588482 693.8721004 702.0118655
702.4224459 710.3289502 712.7036490 714.4197444 719.5367093
724.0155876 729.2095399 731.0066847 745.8807824 746.4464148
750.3672634 756.2928376 761.0689810 763.2710396 767.7260979
772.2775068 776.4639547 781.7333590 787.8967834 793.0584735
795.5205613 798.2752462 800.8206313 804.1932276 807.9464990
809.5731940
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2772
Rtb_to_modes> Number of blocs = 176
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: 9.9842E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9850E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9878E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9913E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.6797E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1162
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1620
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.129
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.650
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.110
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.164
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.742
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.429
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.088
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.383
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.797
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.084
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.784
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.169
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.639
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 9.356
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 9.972
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 10.45
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 11.35
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.76
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.01
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.32
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 14.62
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 15.17
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 15.81
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.46
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.91
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 17.23
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.76
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.28
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 19.35
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 20.27
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 20.85
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 21.65
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 21.89
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 22.48
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 23.08
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 23.89
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 24.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 25.38
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 26.33
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 26.99
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 27.38
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 27.90
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 28.38
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 29.01
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 30.09
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 30.39
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.80
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.05
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.72
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.38
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 32.88
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 33.49
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 33.71
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 34.22
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 34.70
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 35.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 35.59
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 36.23
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 36.75
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 37.34
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 38.25
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 38.67
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 39.74
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 40.20
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 40.56
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 40.83
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 41.79
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 41.84
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 42.79
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 43.08
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 43.28
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 43.91
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 44.45
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 45.09
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 45.32
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 47.18
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 47.25
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 47.75
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 48.51
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 49.12
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 49.40
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 49.98
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 50.58
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 51.13
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.82
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 52.64
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 53.34
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.67
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 54.04
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 54.39
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 54.84
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 55.36
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 55.58
Rtb_to_modes> 106 vectors, with 1056 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99996 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 0.99999 1.00001
0.99999 1.00001 1.00002 1.00000 1.00003
1.00000 1.00000 1.00002 0.99999 1.00003
1.00001 0.99997 1.00002 1.00000 0.99995
1.00000 1.00000 1.00005 1.00000 1.00000
0.99997 0.99997 1.00000 1.00001 0.99999
0.99997 1.00000 1.00001 1.00002 0.99999
1.00000 1.00000 0.99999 0.99998 1.00000
0.99998 0.99996 1.00001 1.00001 0.99999
1.00001 1.00001 0.99996 1.00001 1.00001
1.00004 1.00001 1.00000 1.00000 1.00001
1.00001 0.99997 0.99999 1.00001 1.00000
1.00001 1.00000 1.00002 1.00000 0.99998
1.00000 0.99999 1.00003 1.00002 1.00001
0.99999 0.99999 0.99999 0.99999 0.99999
0.99999 1.00003 0.99999 1.00000 1.00000
1.00000 0.99999 1.00001 0.99999 0.99998
1.00000 0.99999 0.99999 1.00001 1.00001
1.00001 0.99999 0.99998 1.00001 0.99999
1.00000 1.00001 0.99998 1.00002 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 49896 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99996 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 0.99999 1.00001
0.99999 1.00001 1.00002 1.00000 1.00003
1.00000 1.00000 1.00002 0.99999 1.00003
1.00001 0.99997 1.00002 1.00000 0.99995
1.00000 1.00000 1.00005 1.00000 1.00000
0.99997 0.99997 1.00000 1.00001 0.99999
0.99997 1.00000 1.00001 1.00002 0.99999
1.00000 1.00000 0.99999 0.99998 1.00000
0.99998 0.99996 1.00001 1.00001 0.99999
1.00001 1.00001 0.99996 1.00001 1.00001
1.00004 1.00001 1.00000 1.00000 1.00001
1.00001 0.99997 0.99999 1.00001 1.00000
1.00001 1.00000 1.00002 1.00000 0.99998
1.00000 0.99999 1.00003 1.00002 1.00001
0.99999 0.99999 0.99999 0.99999 0.99999
0.99999 1.00003 0.99999 1.00000 1.00000
1.00000 0.99999 1.00001 0.99999 0.99998
1.00000 0.99999 0.99999 1.00001 1.00001
1.00001 0.99999 0.99998 1.00001 0.99999
1.00000 1.00001 0.99998 1.00002 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6:-0.000 0.000-0.000 0.000 0.000
Vector 7:-0.000-0.000 0.000 0.000-0.000 0.000
Vector 8: 0.000 0.000 0.000-0.000 0.000-0.000-0.000
Vector 9:-0.000-0.000-0.000-0.000 0.000-0.000-0.000-0.000
Vector 10: 0.000 0.000-0.000 0.000-0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404101804023332396.eigenfacs
Openam> file on opening on unit 10:
2404101804023332396.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404101804023332396.atom
Openam> file on opening on unit 11:
2404101804023332396.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 = 350
First residue number = 0
Last residue number = 350
Number of atoms found = 2772
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9842E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9850E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9878E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6797E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 11.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 17.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 20.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 20.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 21.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 21.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 22.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 23.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 23.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 24.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 25.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 26.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 26.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 27.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 27.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 28.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 29.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 30.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 30.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 32.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 33.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 33.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 34.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 34.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 35.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 35.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 36.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 36.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 37.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 38.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 38.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 39.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 40.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 40.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 40.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 41.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 41.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 42.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 43.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 43.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 43.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 44.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 45.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 45.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 47.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 47.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 47.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 48.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 49.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 49.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 49.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 50.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 51.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 52.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 53.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 54.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 54.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 54.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 55.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 55.58
Bfactors> 106 vectors, 8316 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 : 0.066797
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= 0.271 for 354 C-alpha atoms.
Bfactors> = 0.193 +/- 0.12
Bfactors> = 37.129 +/- 11.88
Bfactors> Shiftng-fct= 36.936
Bfactors> Scaling-fct= 98.821
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404101804023332396 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=0
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=100
2404101804023332396.eigenfacs
2404101804023332396.atom
making animated gifs
11 models are in 2404101804023332396.7.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 2404101804023332396.7.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 2404101804023332396.7.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 2404101804023332396 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=0
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=100
2404101804023332396.eigenfacs
2404101804023332396.atom
making animated gifs
11 models are in 2404101804023332396.8.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 2404101804023332396.8.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 2404101804023332396.8.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 2404101804023332396 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=0
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=100
2404101804023332396.eigenfacs
2404101804023332396.atom
making animated gifs
11 models are in 2404101804023332396.9.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 2404101804023332396.9.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 2404101804023332396.9.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 2404101804023332396 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=0
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=100
2404101804023332396.eigenfacs
2404101804023332396.atom
making animated gifs
11 models are in 2404101804023332396.10.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 2404101804023332396.10.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 2404101804023332396.10.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 2404101804023332396 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=-20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=0
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=20
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=40
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=60
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=80
2404101804023332396.eigenfacs
2404101804023332396.atom
calculating perturbed structure for DQ=100
2404101804023332396.eigenfacs
2404101804023332396.atom
making animated gifs
11 models are in 2404101804023332396.11.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 2404101804023332396.11.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 2404101804023332396.11.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
2404101804023332396.10.pdb
2404101804023332396.11.pdb
2404101804023332396.7.pdb
2404101804023332396.8.pdb
2404101804023332396.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.650s
user 0m18.586s
sys 0m0.040s
../../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: 2404101804023332396.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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