*** ***
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 = 2403170818573565613.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 2403170818573565613.atom to be opened.
Openam> File opened: 2403170818573565613.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 = 291
First residue number = 600
Last residue number = 2005
Number of atoms found = 2372
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -17.426349 +/- 14.219614 From: -50.544000 To: 13.205000
= 34.496834 +/- 9.748267 From: 13.796000 To: 56.533000
= 129.426837 +/- 8.463650 From: 110.457000 To: 152.376000
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 3.5034 % Filled.
Pdbmat> 887140 non-zero elements.
Pdbmat> 97007 atom-atom interactions.
Pdbmat> Number per atom= 81.79 +/- 23.00
Maximum number = 125
Minimum number = 16
Pdbmat> Matrix trace = 1.940140E+06
Pdbmat> Larger element = 509.493
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
291 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 = 2403170818573565613.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 2403170818573565613.atom to be opened.
Openam> file on opening on unit 11:
2403170818573565613.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2372 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> 291 residues.
Blocpdb> 18 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 19
Blocpdb> 15 atoms in block 3
Block first atom: 27
Blocpdb> 16 atoms in block 4
Block first atom: 42
Blocpdb> 18 atoms in block 5
Block first atom: 58
Blocpdb> 13 atoms in block 6
Block first atom: 76
Blocpdb> 16 atoms in block 7
Block first atom: 89
Blocpdb> 17 atoms in block 8
Block first atom: 105
Blocpdb> 19 atoms in block 9
Block first atom: 122
Blocpdb> 20 atoms in block 10
Block first atom: 141
Blocpdb> 17 atoms in block 11
Block first atom: 161
Blocpdb> 13 atoms in block 12
Block first atom: 178
Blocpdb> 13 atoms in block 13
Block first atom: 191
Blocpdb> 18 atoms in block 14
Block first atom: 204
Blocpdb> 19 atoms in block 15
Block first atom: 222
Blocpdb> 14 atoms in block 16
Block first atom: 241
Blocpdb> 20 atoms in block 17
Block first atom: 255
Blocpdb> 14 atoms in block 18
Block first atom: 275
Blocpdb> 18 atoms in block 19
Block first atom: 289
Blocpdb> 18 atoms in block 20
Block first atom: 307
Blocpdb> 15 atoms in block 21
Block first atom: 325
Blocpdb> 18 atoms in block 22
Block first atom: 340
Blocpdb> 17 atoms in block 23
Block first atom: 358
Blocpdb> 14 atoms in block 24
Block first atom: 375
Blocpdb> 20 atoms in block 25
Block first atom: 389
Blocpdb> 18 atoms in block 26
Block first atom: 409
Blocpdb> 17 atoms in block 27
Block first atom: 427
Blocpdb> 17 atoms in block 28
Block first atom: 444
Blocpdb> 19 atoms in block 29
Block first atom: 461
Blocpdb> 19 atoms in block 30
Block first atom: 480
Blocpdb> 16 atoms in block 31
Block first atom: 499
Blocpdb> 15 atoms in block 32
Block first atom: 515
Blocpdb> 20 atoms in block 33
Block first atom: 530
Blocpdb> 20 atoms in block 34
Block first atom: 550
Blocpdb> 18 atoms in block 35
Block first atom: 570
Blocpdb> 17 atoms in block 36
Block first atom: 588
Blocpdb> 15 atoms in block 37
Block first atom: 605
Blocpdb> 16 atoms in block 38
Block first atom: 620
Blocpdb> 12 atoms in block 39
Block first atom: 636
Blocpdb> 9 atoms in block 40
Block first atom: 648
Blocpdb> 14 atoms in block 41
Block first atom: 657
Blocpdb> 20 atoms in block 42
Block first atom: 671
Blocpdb> 13 atoms in block 43
Block first atom: 691
Blocpdb> 18 atoms in block 44
Block first atom: 704
Blocpdb> 16 atoms in block 45
Block first atom: 722
Blocpdb> 15 atoms in block 46
Block first atom: 738
Blocpdb> 18 atoms in block 47
Block first atom: 753
Blocpdb> 18 atoms in block 48
Block first atom: 771
Blocpdb> 21 atoms in block 49
Block first atom: 789
Blocpdb> 13 atoms in block 50
Block first atom: 810
Blocpdb> 14 atoms in block 51
Block first atom: 823
Blocpdb> 11 atoms in block 52
Block first atom: 837
Blocpdb> 19 atoms in block 53
Block first atom: 848
Blocpdb> 16 atoms in block 54
Block first atom: 867
Blocpdb> 15 atoms in block 55
Block first atom: 883
Blocpdb> 19 atoms in block 56
Block first atom: 898
Blocpdb> 25 atoms in block 57
Block first atom: 917
Blocpdb> 22 atoms in block 58
Block first atom: 942
Blocpdb> 18 atoms in block 59
Block first atom: 964
Blocpdb> 14 atoms in block 60
Block first atom: 982
Blocpdb> 14 atoms in block 61
Block first atom: 996
Blocpdb> 15 atoms in block 62
Block first atom: 1010
Blocpdb> 14 atoms in block 63
Block first atom: 1025
Blocpdb> 17 atoms in block 64
Block first atom: 1039
Blocpdb> 18 atoms in block 65
Block first atom: 1056
Blocpdb> 12 atoms in block 66
Block first atom: 1074
Blocpdb> 19 atoms in block 67
Block first atom: 1086
Blocpdb> 15 atoms in block 68
Block first atom: 1105
Blocpdb> 14 atoms in block 69
Block first atom: 1120
Blocpdb> 26 atoms in block 70
Block first atom: 1134
Blocpdb> 13 atoms in block 71
Block first atom: 1160
Blocpdb> 18 atoms in block 72
Block first atom: 1173
Blocpdb> 11 atoms in block 73
Block first atom: 1191
Blocpdb> 16 atoms in block 74
Block first atom: 1202
Blocpdb> 15 atoms in block 75
Block first atom: 1218
Blocpdb> 15 atoms in block 76
Block first atom: 1233
Blocpdb> 14 atoms in block 77
Block first atom: 1248
Blocpdb> 17 atoms in block 78
Block first atom: 1262
Blocpdb> 17 atoms in block 79
Block first atom: 1279
Blocpdb> 19 atoms in block 80
Block first atom: 1296
Blocpdb> 17 atoms in block 81
Block first atom: 1315
Blocpdb> 15 atoms in block 82
Block first atom: 1332
Blocpdb> 20 atoms in block 83
Block first atom: 1347
Blocpdb> 17 atoms in block 84
Block first atom: 1367
Blocpdb> 17 atoms in block 85
Block first atom: 1384
Blocpdb> 16 atoms in block 86
Block first atom: 1401
Blocpdb> 15 atoms in block 87
Block first atom: 1417
Blocpdb> 18 atoms in block 88
Block first atom: 1432
Blocpdb> 18 atoms in block 89
Block first atom: 1450
Blocpdb> 12 atoms in block 90
Block first atom: 1468
Blocpdb> 15 atoms in block 91
Block first atom: 1480
Blocpdb> 16 atoms in block 92
Block first atom: 1495
Blocpdb> 17 atoms in block 93
Block first atom: 1511
Blocpdb> 17 atoms in block 94
Block first atom: 1528
Blocpdb> 18 atoms in block 95
Block first atom: 1545
Blocpdb> 20 atoms in block 96
Block first atom: 1563
Blocpdb> 15 atoms in block 97
Block first atom: 1583
Blocpdb> 14 atoms in block 98
Block first atom: 1598
Blocpdb> 14 atoms in block 99
Block first atom: 1612
Blocpdb> 17 atoms in block 100
Block first atom: 1626
Blocpdb> 17 atoms in block 101
Block first atom: 1643
Blocpdb> 16 atoms in block 102
Block first atom: 1660
Blocpdb> 17 atoms in block 103
Block first atom: 1676
Blocpdb> 19 atoms in block 104
Block first atom: 1693
Blocpdb> 22 atoms in block 105
Block first atom: 1712
Blocpdb> 15 atoms in block 106
Block first atom: 1734
Blocpdb> 16 atoms in block 107
Block first atom: 1749
Blocpdb> 14 atoms in block 108
Block first atom: 1765
Blocpdb> 22 atoms in block 109
Block first atom: 1779
Blocpdb> 10 atoms in block 110
Block first atom: 1801
Blocpdb> 15 atoms in block 111
Block first atom: 1811
Blocpdb> 14 atoms in block 112
Block first atom: 1826
Blocpdb> 16 atoms in block 113
Block first atom: 1840
Blocpdb> 11 atoms in block 114
Block first atom: 1856
Blocpdb> 11 atoms in block 115
Block first atom: 1867
Blocpdb> 15 atoms in block 116
Block first atom: 1878
Blocpdb> 11 atoms in block 117
Block first atom: 1893
Blocpdb> 19 atoms in block 118
Block first atom: 1904
Blocpdb> 12 atoms in block 119
Block first atom: 1923
Blocpdb> 16 atoms in block 120
Block first atom: 1935
Blocpdb> 5 atoms in block 121
Block first atom: 1951
Blocpdb> 17 atoms in block 122
Block first atom: 1956
Blocpdb> 12 atoms in block 123
Block first atom: 1973
Blocpdb> 14 atoms in block 124
Block first atom: 1985
Blocpdb> 17 atoms in block 125
Block first atom: 1999
Blocpdb> 16 atoms in block 126
Block first atom: 2016
Blocpdb> 15 atoms in block 127
Block first atom: 2032
Blocpdb> 16 atoms in block 128
Block first atom: 2047
Blocpdb> 19 atoms in block 129
Block first atom: 2063
Blocpdb> 16 atoms in block 130
Block first atom: 2082
Blocpdb> 19 atoms in block 131
Block first atom: 2098
Blocpdb> 20 atoms in block 132
Block first atom: 2117
Blocpdb> 17 atoms in block 133
Block first atom: 2137
Blocpdb> 8 atoms in block 134
Block first atom: 2154
Blocpdb> 16 atoms in block 135
Block first atom: 2162
Blocpdb> 16 atoms in block 136
Block first atom: 2178
Blocpdb> 14 atoms in block 137
Block first atom: 2194
Blocpdb> 20 atoms in block 138
Block first atom: 2208
Blocpdb> 16 atoms in block 139
Block first atom: 2228
Blocpdb> 19 atoms in block 140
Block first atom: 2244
Blocpdb> 13 atoms in block 141
Block first atom: 2263
Blocpdb> 16 atoms in block 142
Block first atom: 2276
Blocpdb> 20 atoms in block 143
Block first atom: 2292
Blocpdb> 20 atoms in block 144
Block first atom: 2312
Blocpdb> 13 atoms in block 145
Block first atom: 2332
Blocpdb> 7 atoms in block 146
Block first atom: 2345
Blocpdb> 14 atoms in block 147
Block first atom: 2352
Blocpdb> 7 atoms in block 148
Block first atom: 2365
Blocpdb> 148 blocks.
Blocpdb> At most, 26 atoms in each of them.
Blocpdb> At least, 5 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> 887288 matrix lines read.
Prepmat> Matrix order = 7116
Prepmat> Matrix trace = 1940140.0000
Prepmat> Last element read: 7116 7116 224.7733
Prepmat> 11027 lines saved.
Prepmat> 9403 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: 2372
RTB> Total mass = 2372.0000
RTB> Number of atoms found in matrix: 2372
RTB> Number of blocks = 148
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 203749.7458
RTB> 56208 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 = 888
Diagstd> Nb of non-zero elements: 56208
Diagstd> Projected matrix trace = 203749.7458
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 888 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 203749.7458
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 3.6729840 4.2263949 5.7166113 7.0470800
8.3819782 8.4689326 9.1444859 10.5371858 11.1062101
11.9865064 12.8082935 13.1919027 13.7117797 14.7992611
15.7267967 15.9262392 16.3691557 17.5721009 18.2894633
18.9259333 19.8077926 20.8997491 21.1313360 22.2834320
22.7612230 23.5671415 24.5169156 24.8433268 25.5723564
26.6603357 27.8866318 28.9496946 29.4047196 29.6639509
31.0674052 31.1911374 31.5874168 32.5016534 33.5279180
34.3590471 35.2836776 35.8700555 37.1373908 37.7598786
38.2461793 38.8789160 39.1892189 40.0881254 40.6928258
41.5939658 42.1872043 42.9738216 43.4333393 43.9751277
44.6444384 45.4680379 45.7887537 45.9730894 47.2906794
47.5394186 48.1417426 48.8507252 50.0110683 50.2517697
50.6487438 50.8662784 52.0350059 52.1869379 53.6475575
54.7743670 55.3689151 55.6715764 56.1357598 57.5298775
58.6251836 58.7457842 59.4604215 60.6681059 60.9336288
61.1977023 61.7973390 62.8559733 63.4745973 64.0935814
64.4486521 64.8768213 65.6924695 66.4132665 66.9444736
68.3832075 68.6823373 69.5078695 69.7722788 70.1656991
71.0891658 71.4876087 71.7755639 72.3388442 72.9583072
73.3640319
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034328 0.0034329 0.0034335 0.0034341
0.0034348 208.1156787 223.2442680 259.6358223 288.2702872
314.3898703 316.0163986 328.3786602 352.4987639 361.8913673
375.9599564 388.6341109 394.4109823 402.1075192 417.7488828
430.6410408 433.3630680 439.3477630 455.2051058 464.4037957
472.4152764 483.2961325 496.4389137 499.1818181 512.6091106
518.0755266 527.1676295 537.6853405 541.2528008 549.1369339
560.6968118 573.4470350 584.2749594 588.8488098 591.4387523
605.2680804 606.4721831 610.3125994 619.0817585 628.7797878
636.5255423 645.0333995 650.3712050 661.7607027 667.2837900
671.5669400 677.0992833 679.7959677 687.5482083 692.7143823
700.3424405 705.3191144 711.8643903 715.6602411 720.1099881
725.5694061 732.2314648 734.8093805 736.2869872 746.7634558
748.7247913 753.4530295 758.9807972 767.9418683 769.7876883
772.8222544 774.4800983 783.3269788 784.4697258 795.3719252
803.6814862 808.0314922 810.2369404 813.6077611 823.6486762
831.4523943 832.3071648 837.3543328 845.8152251 847.6641218
849.4989344 853.6506347 860.9314202 865.1576604 869.3657975
871.7705623 874.6616032 880.1426659 884.9580840 888.4902077
897.9869265 899.9488233 905.3411670 907.0615006 909.6151992
915.5814590 918.1437141 919.9910173 923.5939149 927.5400149
930.1154869
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2372
Rtb_to_modes> Number of blocs = 148
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: 9.9857E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9934E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9938E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.673
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.226
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.717
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.047
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.382
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.469
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.144
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 10.54
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.81
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.71
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.80
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.73
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.93
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.37
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.57
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.29
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 18.93
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.81
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.90
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 21.13
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 22.28
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 22.76
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 23.57
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 24.52
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.84
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 25.57
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 26.66
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 27.89
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 28.95
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 29.40
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 29.66
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.07
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 31.19
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.59
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 32.50
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 33.53
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 34.36
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 35.28
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 35.87
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.14
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 37.76
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 38.25
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 38.88
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 39.19
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 40.09
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 40.69
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 41.59
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 42.19
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 42.97
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 43.43
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 43.98
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 44.64
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 45.47
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 45.79
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 45.97
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 47.29
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 47.54
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 48.14
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 48.85
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 50.01
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 50.25
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 50.65
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 50.87
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 52.04
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 52.19
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 53.65
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 54.77
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 55.37
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 55.67
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 56.14
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 57.53
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 58.63
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 58.75
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 59.46
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 60.67
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 60.93
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 61.20
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 61.80
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 62.86
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 63.47
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 64.09
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 64.45
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 64.88
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 65.69
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 66.41
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 66.94
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 68.38
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 68.68
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.51
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 69.77
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 70.17
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 71.09
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.49
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 71.78
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 72.34
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 72.96
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 73.36
Rtb_to_modes> 106 vectors, with 888 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00002 1.00000
1.00000 1.00002 1.00002 0.99999 1.00002
1.00001 0.99999 1.00000 1.00003 0.99999
0.99998 1.00001 0.99997 0.99997 0.99999
1.00001 0.99999 1.00002 1.00001 1.00002
1.00000 1.00001 0.99999 0.99999 1.00001
1.00002 0.99999 0.99999 1.00001 1.00000
1.00000 1.00002 0.99999 1.00001 1.00000
0.99999 1.00003 0.99998 1.00001 1.00003
1.00004 1.00001 0.99998 1.00001 1.00001
1.00003 0.99996 1.00000 1.00000 0.99997
1.00003 1.00001 1.00002 0.99998 1.00002
0.99999 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00001 0.99999 0.99997
1.00000 0.99999 0.99998 0.99999 1.00001
1.00002 1.00000 0.99998 0.99998 0.99999
1.00003 0.99998 0.99997 1.00001 1.00003
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 1.00000 1.00001
1.00000 1.00002 1.00000 0.99999 0.99999
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 42696 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00002 1.00000
1.00000 1.00002 1.00002 0.99999 1.00002
1.00001 0.99999 1.00000 1.00003 0.99999
0.99998 1.00001 0.99997 0.99997 0.99999
1.00001 0.99999 1.00002 1.00001 1.00002
1.00000 1.00001 0.99999 0.99999 1.00001
1.00002 0.99999 0.99999 1.00001 1.00000
1.00000 1.00002 0.99999 1.00001 1.00000
0.99999 1.00003 0.99998 1.00001 1.00003
1.00004 1.00001 0.99998 1.00001 1.00001
1.00003 0.99996 1.00000 1.00000 0.99997
1.00003 1.00001 1.00002 0.99998 1.00002
0.99999 1.00000 1.00000 1.00000 1.00000
0.99998 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00001 0.99999 0.99997
1.00000 0.99999 0.99998 0.99999 1.00001
1.00002 1.00000 0.99998 0.99998 0.99999
1.00003 0.99998 0.99997 1.00001 1.00003
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 1.00000 1.00001
1.00000 1.00002 1.00000 0.99999 0.99999
0.99997
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> 2403170818573565613.eigenfacs
Openam> file on opening on unit 10:
2403170818573565613.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403170818573565613.atom
Openam> file on opening on unit 11:
2403170818573565613.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 = 291
First residue number = 600
Last residue number = 2005
Number of atoms found = 2372
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9857E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 10.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 18.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 22.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 22.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 23.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 24.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 25.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 26.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 27.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 28.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 29.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 29.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 31.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 32.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 33.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 34.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 35.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 35.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 37.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 38.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 38.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 39.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 40.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 40.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 41.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 42.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 42.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 43.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 43.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 44.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 45.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 45.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 45.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 47.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 47.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 48.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 48.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 50.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 50.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 50.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 50.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 52.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 52.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 53.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 54.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 55.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 55.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 56.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 57.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 58.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 58.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 59.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 60.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 60.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 61.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 61.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 62.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 63.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 64.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 64.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 64.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 65.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 66.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 66.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 68.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 68.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 69.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 70.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 71.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 71.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 72.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 72.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 73.36
Bfactors> 106 vectors, 7116 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 : 3.673000
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= 0.424 for 291 C-alpha atoms.
Bfactors> = 0.023 +/- 0.03
Bfactors> = 76.857 +/- 9.16
Bfactors> Shiftng-fct= 76.834
Bfactors> Scaling-fct= 327.332
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403170818573565613 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=0
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=100
2403170818573565613.eigenfacs
2403170818573565613.atom
making animated gifs
11 models are in 2403170818573565613.7.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 2403170818573565613.7.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 2403170818573565613.7.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 2403170818573565613 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=0
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=100
2403170818573565613.eigenfacs
2403170818573565613.atom
making animated gifs
11 models are in 2403170818573565613.8.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 2403170818573565613.8.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 2403170818573565613.8.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 2403170818573565613 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=0
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=100
2403170818573565613.eigenfacs
2403170818573565613.atom
making animated gifs
11 models are in 2403170818573565613.9.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 2403170818573565613.9.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 2403170818573565613.9.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 2403170818573565613 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=0
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=100
2403170818573565613.eigenfacs
2403170818573565613.atom
making animated gifs
11 models are in 2403170818573565613.10.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 2403170818573565613.10.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 2403170818573565613.10.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 2403170818573565613 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=-20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=0
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=20
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=40
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=60
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=80
2403170818573565613.eigenfacs
2403170818573565613.atom
calculating perturbed structure for DQ=100
2403170818573565613.eigenfacs
2403170818573565613.atom
making animated gifs
11 models are in 2403170818573565613.11.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 2403170818573565613.11.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 2403170818573565613.11.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
2403170818573565613.10.pdb
2403170818573565613.11.pdb
2403170818573565613.7.pdb
2403170818573565613.8.pdb
2403170818573565613.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.595s
user 0m11.551s
sys 0m0.044s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2403170818573565613.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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