*** ***
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 = 2401171138441454253.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 2401171138441454253.atom to be opened.
Openam> File opened: 2401171138441454253.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 = 293
First residue number = 599
Last residue number = 891
Number of atoms found = 2392
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -38.885372 +/- 14.048688 From: -68.485000 To: -8.780000
= 28.827365 +/- 9.377769 From: 7.537000 To: 49.217000
= 103.218003 +/- 9.023225 From: 82.825000 To: 124.929000
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 3.5650 % Filled.
Pdbmat> 918021 non-zero elements.
Pdbmat> 100421 atom-atom interactions.
Pdbmat> Number per atom= 83.96 +/- 23.88
Maximum number = 131
Minimum number = 8
Pdbmat> Matrix trace = 2.008420E+06
Pdbmat> Larger element = 516.847
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
293 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 = 2401171138441454253.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 2401171138441454253.atom to be opened.
Openam> file on opening on unit 11:
2401171138441454253.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2392 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> 293 residues.
Blocpdb> 18 atoms in block 1
Block first atom: 1
Blocpdb> 17 atoms in block 2
Block first atom: 19
Blocpdb> 16 atoms in block 3
Block first atom: 36
Blocpdb> 16 atoms in block 4
Block first atom: 52
Blocpdb> 15 atoms in block 5
Block first atom: 68
Blocpdb> 15 atoms in block 6
Block first atom: 83
Blocpdb> 16 atoms in block 7
Block first atom: 98
Blocpdb> 16 atoms in block 8
Block first atom: 114
Blocpdb> 16 atoms in block 9
Block first atom: 130
Blocpdb> 21 atoms in block 10
Block first atom: 146
Blocpdb> 20 atoms in block 11
Block first atom: 167
Blocpdb> 13 atoms in block 12
Block first atom: 187
Blocpdb> 17 atoms in block 13
Block first atom: 200
Blocpdb> 15 atoms in block 14
Block first atom: 217
Blocpdb> 18 atoms in block 15
Block first atom: 232
Blocpdb> 13 atoms in block 16
Block first atom: 250
Blocpdb> 20 atoms in block 17
Block first atom: 263
Blocpdb> 15 atoms in block 18
Block first atom: 283
Blocpdb> 15 atoms in block 19
Block first atom: 298
Blocpdb> 18 atoms in block 20
Block first atom: 313
Blocpdb> 17 atoms in block 21
Block first atom: 331
Blocpdb> 20 atoms in block 22
Block first atom: 348
Blocpdb> 15 atoms in block 23
Block first atom: 368
Blocpdb> 18 atoms in block 24
Block first atom: 383
Blocpdb> 16 atoms in block 25
Block first atom: 401
Blocpdb> 16 atoms in block 26
Block first atom: 417
Blocpdb> 19 atoms in block 27
Block first atom: 433
Blocpdb> 17 atoms in block 28
Block first atom: 452
Blocpdb> 17 atoms in block 29
Block first atom: 469
Blocpdb> 23 atoms in block 30
Block first atom: 486
Blocpdb> 15 atoms in block 31
Block first atom: 509
Blocpdb> 16 atoms in block 32
Block first atom: 524
Blocpdb> 19 atoms in block 33
Block first atom: 540
Blocpdb> 20 atoms in block 34
Block first atom: 559
Blocpdb> 19 atoms in block 35
Block first atom: 579
Blocpdb> 16 atoms in block 36
Block first atom: 598
Blocpdb> 14 atoms in block 37
Block first atom: 614
Blocpdb> 17 atoms in block 38
Block first atom: 628
Blocpdb> 12 atoms in block 39
Block first atom: 645
Blocpdb> 13 atoms in block 40
Block first atom: 657
Blocpdb> 10 atoms in block 41
Block first atom: 670
Blocpdb> 20 atoms in block 42
Block first atom: 680
Blocpdb> 16 atoms in block 43
Block first atom: 700
Blocpdb> 11 atoms in block 44
Block first atom: 716
Blocpdb> 20 atoms in block 45
Block first atom: 727
Blocpdb> 12 atoms in block 46
Block first atom: 747
Blocpdb> 20 atoms in block 47
Block first atom: 759
Blocpdb> 16 atoms in block 48
Block first atom: 779
Blocpdb> 20 atoms in block 49
Block first atom: 795
Blocpdb> 20 atoms in block 50
Block first atom: 815
Blocpdb> 10 atoms in block 51
Block first atom: 835
Blocpdb> 13 atoms in block 52
Block first atom: 845
Blocpdb> 18 atoms in block 53
Block first atom: 858
Blocpdb> 17 atoms in block 54
Block first atom: 876
Blocpdb> 14 atoms in block 55
Block first atom: 893
Blocpdb> 16 atoms in block 56
Block first atom: 907
Blocpdb> 25 atoms in block 57
Block first atom: 923
Blocpdb> 19 atoms in block 58
Block first atom: 948
Blocpdb> 22 atoms in block 59
Block first atom: 967
Blocpdb> 18 atoms in block 60
Block first atom: 989
Blocpdb> 14 atoms in block 61
Block first atom: 1007
Blocpdb> 14 atoms in block 62
Block first atom: 1021
Blocpdb> 15 atoms in block 63
Block first atom: 1035
Blocpdb> 15 atoms in block 64
Block first atom: 1050
Blocpdb> 18 atoms in block 65
Block first atom: 1065
Blocpdb> 15 atoms in block 66
Block first atom: 1083
Blocpdb> 13 atoms in block 67
Block first atom: 1098
Blocpdb> 19 atoms in block 68
Block first atom: 1111
Blocpdb> 17 atoms in block 69
Block first atom: 1130
Blocpdb> 11 atoms in block 70
Block first atom: 1147
Blocpdb> 21 atoms in block 71
Block first atom: 1158
Blocpdb> 21 atoms in block 72
Block first atom: 1179
Blocpdb> 14 atoms in block 73
Block first atom: 1200
Blocpdb> 18 atoms in block 74
Block first atom: 1214
Blocpdb> 11 atoms in block 75
Block first atom: 1232
Blocpdb> 16 atoms in block 76
Block first atom: 1243
Blocpdb> 15 atoms in block 77
Block first atom: 1259
Blocpdb> 15 atoms in block 78
Block first atom: 1274
Blocpdb> 14 atoms in block 79
Block first atom: 1289
Blocpdb> 17 atoms in block 80
Block first atom: 1303
Blocpdb> 17 atoms in block 81
Block first atom: 1320
Blocpdb> 19 atoms in block 82
Block first atom: 1337
Blocpdb> 17 atoms in block 83
Block first atom: 1356
Blocpdb> 15 atoms in block 84
Block first atom: 1373
Blocpdb> 20 atoms in block 85
Block first atom: 1388
Blocpdb> 17 atoms in block 86
Block first atom: 1408
Blocpdb> 17 atoms in block 87
Block first atom: 1425
Blocpdb> 16 atoms in block 88
Block first atom: 1442
Blocpdb> 15 atoms in block 89
Block first atom: 1458
Blocpdb> 18 atoms in block 90
Block first atom: 1473
Blocpdb> 18 atoms in block 91
Block first atom: 1491
Blocpdb> 12 atoms in block 92
Block first atom: 1509
Blocpdb> 15 atoms in block 93
Block first atom: 1521
Blocpdb> 16 atoms in block 94
Block first atom: 1536
Blocpdb> 17 atoms in block 95
Block first atom: 1552
Blocpdb> 17 atoms in block 96
Block first atom: 1569
Blocpdb> 18 atoms in block 97
Block first atom: 1586
Blocpdb> 20 atoms in block 98
Block first atom: 1604
Blocpdb> 15 atoms in block 99
Block first atom: 1624
Blocpdb> 14 atoms in block 100
Block first atom: 1639
Blocpdb> 14 atoms in block 101
Block first atom: 1653
Blocpdb> 17 atoms in block 102
Block first atom: 1667
Blocpdb> 17 atoms in block 103
Block first atom: 1684
Blocpdb> 16 atoms in block 104
Block first atom: 1701
Blocpdb> 17 atoms in block 105
Block first atom: 1717
Blocpdb> 19 atoms in block 106
Block first atom: 1734
Blocpdb> 22 atoms in block 107
Block first atom: 1753
Blocpdb> 15 atoms in block 108
Block first atom: 1775
Blocpdb> 16 atoms in block 109
Block first atom: 1790
Blocpdb> 14 atoms in block 110
Block first atom: 1806
Blocpdb> 22 atoms in block 111
Block first atom: 1820
Blocpdb> 10 atoms in block 112
Block first atom: 1842
Blocpdb> 15 atoms in block 113
Block first atom: 1852
Blocpdb> 14 atoms in block 114
Block first atom: 1867
Blocpdb> 16 atoms in block 115
Block first atom: 1881
Blocpdb> 11 atoms in block 116
Block first atom: 1897
Blocpdb> 11 atoms in block 117
Block first atom: 1908
Blocpdb> 15 atoms in block 118
Block first atom: 1919
Blocpdb> 11 atoms in block 119
Block first atom: 1934
Blocpdb> 19 atoms in block 120
Block first atom: 1945
Blocpdb> 12 atoms in block 121
Block first atom: 1964
Blocpdb> 16 atoms in block 122
Block first atom: 1976
Blocpdb> 13 atoms in block 123
Block first atom: 1992
Blocpdb> 17 atoms in block 124
Block first atom: 2005
Blocpdb> 12 atoms in block 125
Block first atom: 2022
Blocpdb> 14 atoms in block 126
Block first atom: 2034
Blocpdb> 17 atoms in block 127
Block first atom: 2048
Blocpdb> 16 atoms in block 128
Block first atom: 2065
Blocpdb> 15 atoms in block 129
Block first atom: 2081
Blocpdb> 16 atoms in block 130
Block first atom: 2096
Blocpdb> 19 atoms in block 131
Block first atom: 2112
Blocpdb> 16 atoms in block 132
Block first atom: 2131
Blocpdb> 19 atoms in block 133
Block first atom: 2147
Blocpdb> 20 atoms in block 134
Block first atom: 2166
Blocpdb> 17 atoms in block 135
Block first atom: 2186
Blocpdb> 16 atoms in block 136
Block first atom: 2203
Blocpdb> 16 atoms in block 137
Block first atom: 2219
Blocpdb> 16 atoms in block 138
Block first atom: 2235
Blocpdb> 14 atoms in block 139
Block first atom: 2251
Blocpdb> 20 atoms in block 140
Block first atom: 2265
Blocpdb> 16 atoms in block 141
Block first atom: 2285
Blocpdb> 19 atoms in block 142
Block first atom: 2301
Blocpdb> 13 atoms in block 143
Block first atom: 2320
Blocpdb> 16 atoms in block 144
Block first atom: 2333
Blocpdb> 20 atoms in block 145
Block first atom: 2349
Blocpdb> 20 atoms in block 146
Block first atom: 2369
Blocpdb> 4 atoms in block 147
Block first atom: 2388
Blocpdb> 147 blocks.
Blocpdb> At most, 25 atoms in each of them.
Blocpdb> At least, 4 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 918168 matrix lines read.
Prepmat> Matrix order = 7176
Prepmat> Matrix trace = 2008420.0000
Prepmat> Last element read: 7176 7176 132.6040
Prepmat> 10879 lines saved.
Prepmat> 9219 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: 2392
RTB> Total mass = 2392.0000
RTB> Number of atoms found in matrix: 2392
RTB> Number of blocks = 147
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 209438.8617
RTB> 57519 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 = 882
Diagstd> Nb of non-zero elements: 57519
Diagstd> Projected matrix trace = 209438.8617
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 882 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 209438.8617
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 3.7468947 4.1538938 5.6573421 6.9995942
7.9718572 8.6694305 9.6168407 10.7873567 11.4123025
12.4884104 13.2062819 13.8198297 14.6426304 15.5456465
16.6197024 17.1804607 18.2157225 19.3895355 19.8623425
20.9751714 22.8937459 23.0927762 23.8156546 24.4790369
25.2105901 25.5486240 25.8470096 27.1066821 27.4194907
28.4168765 29.8804051 30.1930569 30.8184297 31.9406531
33.2914736 33.5118816 34.6852507 35.3091175 35.7849691
37.5362604 38.4671982 39.0559000 39.5344178 40.4344428
41.0531610 41.2788171 41.9154149 43.3831574 44.4319185
45.0396568 45.1721784 45.6833722 47.2111853 47.6506082
48.1170988 48.8259457 49.5849902 50.1916323 51.0312917
51.7562561 52.0815158 52.5526564 53.8564278 54.7674350
55.1043306 56.3293432 56.9384923 57.4076284 58.4821476
60.0490751 60.3856762 61.3627148 62.4866306 62.7410358
63.8040483 64.2745508 64.4845119 65.4225634 66.6601941
66.8091004 67.7101136 67.8493713 68.6027890 69.4115307
69.8067829 70.7280732 71.7586845 72.1628647 72.7829020
73.3968287 73.8633183 74.1881031 75.2840614 75.8589022
76.4642867 77.7007516 78.0090036 78.4285981 79.0741898
79.6936241
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034336 0.0034337 0.0034345 0.0034348 0.0034348
0.0034350 210.1991841 221.3211797 258.2863784 287.2974100
306.6020369 319.7352835 336.7530144 356.6586824 366.8444206
383.7504178 394.6258795 403.6887304 415.5323412 428.1536727
442.6973284 450.1038030 463.4666423 478.1663200 483.9611650
497.3338726 519.5815356 521.8351793 529.9398049 537.2698174
545.2388412 548.8820620 552.0779888 565.3709134 568.6237200
578.8732089 593.5926583 596.6900870 602.8378791 613.7156192
626.5587362 628.6293971 639.5399803 645.2658953 649.5993825
665.3049913 673.5045867 678.6386736 682.7833999 690.5116527
695.7746183 697.6842230 703.0434476 715.2466933 723.8403905
728.7739102 729.8452696 733.9633222 746.1355496 749.5998728
753.2601585 758.7882763 764.6635627 769.3269394 775.7353112
781.2260326 783.6769768 787.2136518 796.9187633 803.6306293
806.0985605 815.0094119 819.4043438 822.7730981 830.4374699
841.4889972 843.8441565 850.6434516 858.3982706 860.1439174
867.3999600 870.5922675 872.0130588 878.3327140 886.6017155
887.5914134 893.5565684 894.4749737 899.4275091 904.7135425
907.2857551 913.2531814 919.8828343 922.4698123 926.4243555
930.3233641 933.2751181 935.3247222 942.2080281 945.7983610
949.5647866 957.2114616 959.1082916 961.6842563 965.6342373
969.4090479
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2392
Rtb_to_modes> Number of blocs = 147
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: 9.9977E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.747
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.154
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.657
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.000
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.972
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.669
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.617
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 10.79
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 11.41
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 12.49
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 13.21
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.82
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 14.64
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 15.55
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 16.62
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 17.18
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.22
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.39
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 19.86
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.98
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.89
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.09
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.82
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.48
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.21
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 25.55
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 25.85
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.11
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 27.42
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.42
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.88
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.19
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 30.82
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 31.94
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 33.29
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 33.51
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 34.69
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 35.31
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.78
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 37.54
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 38.47
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 39.06
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 39.53
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 40.43
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 41.05
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 41.92
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.38
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 44.43
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.04
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 45.17
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 45.68
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 47.21
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 47.65
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 48.83
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 49.58
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 50.19
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 51.03
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 51.76
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 52.08
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 52.55
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 53.86
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 54.77
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 55.10
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 56.33
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 56.94
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 57.41
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 58.48
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 60.05
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 60.39
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 61.36
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 62.49
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 62.74
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.80
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 64.27
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.48
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 65.42
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 66.66
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 66.81
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 67.71
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 67.85
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 68.60
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 69.41
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 69.81
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 70.73
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 71.76
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 72.16
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 72.78
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 73.40
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 73.86
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 74.19
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 75.28
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 75.86
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 76.46
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 77.70
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 78.01
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 78.43
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 79.07
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 79.69
Rtb_to_modes> 106 vectors, with 882 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 0.99999 1.00002
0.99999 0.99999 0.99999 1.00003 0.99997
1.00003 0.99999 1.00003 1.00004 0.99998
0.99999 1.00002 1.00002 1.00000 0.99999
1.00001 1.00003 1.00002 0.99996 0.99999
1.00002 0.99998 0.99999 0.99998 1.00001
0.99999 0.99997 0.99999 1.00000 1.00000
1.00000 0.99998 1.00001 0.99997 1.00000
0.99998 1.00001 1.00000 1.00001 1.00001
1.00002 1.00001 1.00001 1.00000 0.99999
1.00000 0.99999 1.00000 1.00000 0.99998
0.99999 1.00000 1.00002 0.99997 0.99997
1.00000 0.99998 0.99997 0.99999 1.00001
0.99997 1.00003 1.00000 1.00001 1.00000
1.00000 0.99999 0.99998 1.00004 0.99999
1.00002 0.99999 0.99999 1.00002 1.00001
1.00000 1.00000 0.99996 0.99999 0.99999
1.00002 0.99999 0.99999 0.99999 1.00001
1.00000 1.00000 1.00003 1.00000 1.00000
0.99998 0.99999 1.00001 1.00002 1.00000
1.00000 1.00001 0.99999 0.99999 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 43056 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 0.99999 1.00002
0.99999 0.99999 0.99999 1.00003 0.99997
1.00003 0.99999 1.00003 1.00004 0.99998
0.99999 1.00002 1.00002 1.00000 0.99999
1.00001 1.00003 1.00002 0.99996 0.99999
1.00002 0.99998 0.99999 0.99998 1.00001
0.99999 0.99997 0.99999 1.00000 1.00000
1.00000 0.99998 1.00001 0.99997 1.00000
0.99998 1.00001 1.00000 1.00001 1.00001
1.00002 1.00001 1.00001 1.00000 0.99999
1.00000 0.99999 1.00000 1.00000 0.99998
0.99999 1.00000 1.00002 0.99997 0.99997
1.00000 0.99998 0.99997 0.99999 1.00001
0.99997 1.00003 1.00000 1.00001 1.00000
1.00000 0.99999 0.99998 1.00004 0.99999
1.00002 0.99999 0.99999 1.00002 1.00001
1.00000 1.00000 0.99996 0.99999 0.99999
1.00002 0.99999 0.99999 0.99999 1.00001
1.00000 1.00000 1.00003 1.00000 1.00000
0.99998 0.99999 1.00001 1.00002 1.00000
1.00000 1.00001 0.99999 0.99999 0.99999
1.00000
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> 2401171138441454253.eigenfacs
Openam> file on opening on unit 10:
2401171138441454253.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401171138441454253.atom
Openam> file on opening on unit 11:
2401171138441454253.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 = 293
First residue number = 599
Last residue number = 891
Number of atoms found = 2392
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: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 12.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 13.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 14.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 15.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 16.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 25.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 25.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 27.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 30.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 31.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 33.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 33.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 34.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 35.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 37.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 38.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 39.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 39.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 40.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 41.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 41.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 44.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 45.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 45.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 45.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 47.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 47.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 48.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 49.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 50.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 51.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 51.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 52.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 52.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 53.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 54.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 55.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 56.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 56.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 57.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 58.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 60.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 60.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 61.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 62.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 62.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 64.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 65.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 66.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 66.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 67.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 67.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 68.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 69.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 69.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 70.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 71.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 72.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 72.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 73.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 73.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 74.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 75.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 75.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 76.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 77.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 78.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 78.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 79.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 79.69
Bfactors> 106 vectors, 7176 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 : 3.747000
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= 0.621 for 293 C-alpha atoms.
Bfactors> = 0.021 +/- 0.03
Bfactors> = 70.149 +/- 9.74
Bfactors> Shiftng-fct= 70.127
Bfactors> Scaling-fct= 378.721
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401171138441454253 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=0
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=100
2401171138441454253.eigenfacs
2401171138441454253.atom
making animated gifs
11 models are in 2401171138441454253.7.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 2401171138441454253.7.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 2401171138441454253.7.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 2401171138441454253 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=0
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=100
2401171138441454253.eigenfacs
2401171138441454253.atom
making animated gifs
11 models are in 2401171138441454253.8.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 2401171138441454253.8.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 2401171138441454253.8.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 2401171138441454253 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=0
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=100
2401171138441454253.eigenfacs
2401171138441454253.atom
making animated gifs
11 models are in 2401171138441454253.9.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 2401171138441454253.9.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 2401171138441454253.9.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 2401171138441454253 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=0
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=100
2401171138441454253.eigenfacs
2401171138441454253.atom
making animated gifs
11 models are in 2401171138441454253.10.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 2401171138441454253.10.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 2401171138441454253.10.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 2401171138441454253 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=-20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=0
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=20
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=40
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=60
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=80
2401171138441454253.eigenfacs
2401171138441454253.atom
calculating perturbed structure for DQ=100
2401171138441454253.eigenfacs
2401171138441454253.atom
making animated gifs
11 models are in 2401171138441454253.11.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 2401171138441454253.11.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 2401171138441454253.11.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
2401171138441454253.10.pdb
2401171138441454253.11.pdb
2401171138441454253.7.pdb
2401171138441454253.8.pdb
2401171138441454253.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.598s
user 0m11.581s
sys 0m0.016s
../../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: 2401171138441454253.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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