*** OXYGEN STORAGE 05-APR-73 1MBN ***
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 = 2403142101193190884.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 2403142101193190884.atom to be opened.
Openam> File opened: 2403142101193190884.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 = 153
First residue number = 1
Last residue number = 153
Number of atoms found = 1216
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 13.785773 +/- 9.738101 From: -7.200000 To: 35.500000
= 20.709128 +/- 7.918776 From: 1.300000 To: 40.200000
= 7.948437 +/- 8.668403 From: -11.100000 To: 27.800000
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 6.3664 % Filled.
Pdbmat> 423730 non-zero elements.
Pdbmat> 47022 atom-atom interactions.
Pdbmat> Number per atom= 77.34 +/- 20.08
Maximum number = 124
Minimum number = 16
Pdbmat> Matrix trace = 940440.
Pdbmat> Larger element = 531.729
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
153 non-zero elements, NRBL set to 1
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403142101193190884.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403142101193190884.atom to be opened.
Openam> file on opening on unit 11:
2403142101193190884.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1216 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 153 residues.
Blocpdb> 7 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 8
Blocpdb> 6 atoms in block 3
Block first atom: 16
Blocpdb> 9 atoms in block 4
Block first atom: 22
Blocpdb> 4 atoms in block 5
Block first atom: 31
Blocpdb> 9 atoms in block 6
Block first atom: 35
Blocpdb> 14 atoms in block 7
Block first atom: 44
Blocpdb> 9 atoms in block 8
Block first atom: 58
Blocpdb> 8 atoms in block 9
Block first atom: 67
Blocpdb> 7 atoms in block 10
Block first atom: 75
Blocpdb> 8 atoms in block 11
Block first atom: 82
Blocpdb> 10 atoms in block 12
Block first atom: 90
Blocpdb> 7 atoms in block 13
Block first atom: 100
Blocpdb> 14 atoms in block 14
Block first atom: 107
Blocpdb> 5 atoms in block 15
Block first atom: 121
Blocpdb> 9 atoms in block 16
Block first atom: 126
Blocpdb> 7 atoms in block 17
Block first atom: 135
Blocpdb> 9 atoms in block 18
Block first atom: 142
Blocpdb> 5 atoms in block 19
Block first atom: 151
Blocpdb> 8 atoms in block 20
Block first atom: 156
Blocpdb> 7 atoms in block 21
Block first atom: 164
Blocpdb> 5 atoms in block 22
Block first atom: 171
Blocpdb> 4 atoms in block 23
Block first atom: 176
Blocpdb> 10 atoms in block 24
Block first atom: 180
Blocpdb> 4 atoms in block 25
Block first atom: 190
Blocpdb> 9 atoms in block 26
Block first atom: 194
Blocpdb> 8 atoms in block 27
Block first atom: 203
Blocpdb> 8 atoms in block 28
Block first atom: 211
Blocpdb> 8 atoms in block 29
Block first atom: 219
Blocpdb> 8 atoms in block 30
Block first atom: 227
Blocpdb> 11 atoms in block 31
Block first atom: 235
Blocpdb> 8 atoms in block 32
Block first atom: 246
Blocpdb> 11 atoms in block 33
Block first atom: 254
Blocpdb> 9 atoms in block 34
Block first atom: 265
Blocpdb> 6 atoms in block 35
Block first atom: 274
Blocpdb> 10 atoms in block 36
Block first atom: 280
Blocpdb> 7 atoms in block 37
Block first atom: 290
Blocpdb> 9 atoms in block 38
Block first atom: 297
Blocpdb> 7 atoms in block 39
Block first atom: 306
Blocpdb> 8 atoms in block 40
Block first atom: 313
Blocpdb> 9 atoms in block 41
Block first atom: 321
Blocpdb> 9 atoms in block 42
Block first atom: 330
Blocpdb> 11 atoms in block 43
Block first atom: 339
Blocpdb> 8 atoms in block 44
Block first atom: 350
Blocpdb> 11 atoms in block 45
Block first atom: 358
Blocpdb> 11 atoms in block 46
Block first atom: 369
Blocpdb> 9 atoms in block 47
Block first atom: 380
Blocpdb> 10 atoms in block 48
Block first atom: 389
Blocpdb> 8 atoms in block 49
Block first atom: 399
Blocpdb> 9 atoms in block 50
Block first atom: 407
Blocpdb> 7 atoms in block 51
Block first atom: 416
Blocpdb> 9 atoms in block 52
Block first atom: 423
Blocpdb> 5 atoms in block 53
Block first atom: 432
Blocpdb> 9 atoms in block 54
Block first atom: 437
Blocpdb> 8 atoms in block 55
Block first atom: 446
Blocpdb> 9 atoms in block 56
Block first atom: 454
Blocpdb> 5 atoms in block 57
Block first atom: 463
Blocpdb> 6 atoms in block 58
Block first atom: 468
Blocpdb> 9 atoms in block 59
Block first atom: 474
Blocpdb> 8 atoms in block 60
Block first atom: 483
Blocpdb> 8 atoms in block 61
Block first atom: 491
Blocpdb> 9 atoms in block 62
Block first atom: 499
Blocpdb> 9 atoms in block 63
Block first atom: 508
Blocpdb> 10 atoms in block 64
Block first atom: 517
Blocpdb> 4 atoms in block 65
Block first atom: 527
Blocpdb> 7 atoms in block 66
Block first atom: 531
Blocpdb> 7 atoms in block 67
Block first atom: 538
Blocpdb> 7 atoms in block 68
Block first atom: 545
Blocpdb> 8 atoms in block 69
Block first atom: 552
Blocpdb> 7 atoms in block 70
Block first atom: 560
Blocpdb> 5 atoms in block 71
Block first atom: 567
Blocpdb> 8 atoms in block 72
Block first atom: 572
Blocpdb> 4 atoms in block 73
Block first atom: 580
Blocpdb> 5 atoms in block 74
Block first atom: 584
Blocpdb> 8 atoms in block 75
Block first atom: 589
Blocpdb> 8 atoms in block 76
Block first atom: 597
Blocpdb> 9 atoms in block 77
Block first atom: 605
Blocpdb> 9 atoms in block 78
Block first atom: 614
Blocpdb> 9 atoms in block 79
Block first atom: 623
Blocpdb> 4 atoms in block 80
Block first atom: 632
Blocpdb> 10 atoms in block 81
Block first atom: 636
Blocpdb> 10 atoms in block 82
Block first atom: 646
Blocpdb> 9 atoms in block 83
Block first atom: 656
Blocpdb> 5 atoms in block 84
Block first atom: 665
Blocpdb> 9 atoms in block 85
Block first atom: 670
Blocpdb> 8 atoms in block 86
Block first atom: 679
Blocpdb> 9 atoms in block 87
Block first atom: 687
Blocpdb> 7 atoms in block 88
Block first atom: 696
Blocpdb> 8 atoms in block 89
Block first atom: 703
Blocpdb> 5 atoms in block 90
Block first atom: 711
Blocpdb> 9 atoms in block 91
Block first atom: 716
Blocpdb> 6 atoms in block 92
Block first atom: 725
Blocpdb> 10 atoms in block 93
Block first atom: 731
Blocpdb> 5 atoms in block 94
Block first atom: 741
Blocpdb> 7 atoms in block 95
Block first atom: 746
Blocpdb> 9 atoms in block 96
Block first atom: 753
Blocpdb> 10 atoms in block 97
Block first atom: 762
Blocpdb> 9 atoms in block 98
Block first atom: 772
Blocpdb> 8 atoms in block 99
Block first atom: 781
Blocpdb> 7 atoms in block 100
Block first atom: 789
Blocpdb> 8 atoms in block 101
Block first atom: 796
Blocpdb> 9 atoms in block 102
Block first atom: 804
Blocpdb> 12 atoms in block 103
Block first atom: 813
Blocpdb> 8 atoms in block 104
Block first atom: 825
Blocpdb> 9 atoms in block 105
Block first atom: 833
Blocpdb> 11 atoms in block 106
Block first atom: 842
Blocpdb> 8 atoms in block 107
Block first atom: 853
Blocpdb> 6 atoms in block 108
Block first atom: 861
Blocpdb> 9 atoms in block 109
Block first atom: 867
Blocpdb> 5 atoms in block 110
Block first atom: 876
Blocpdb> 8 atoms in block 111
Block first atom: 881
Blocpdb> 8 atoms in block 112
Block first atom: 889
Blocpdb> 10 atoms in block 113
Block first atom: 897
Blocpdb> 7 atoms in block 114
Block first atom: 907
Blocpdb> 8 atoms in block 115
Block first atom: 914
Blocpdb> 10 atoms in block 116
Block first atom: 922
Blocpdb> 6 atoms in block 117
Block first atom: 932
Blocpdb> 11 atoms in block 118
Block first atom: 938
Blocpdb> 10 atoms in block 119
Block first atom: 949
Blocpdb> 7 atoms in block 120
Block first atom: 959
Blocpdb> 4 atoms in block 121
Block first atom: 966
Blocpdb> 8 atoms in block 122
Block first atom: 970
Blocpdb> 11 atoms in block 123
Block first atom: 978
Blocpdb> 4 atoms in block 124
Block first atom: 989
Blocpdb> 5 atoms in block 125
Block first atom: 993
Blocpdb> 8 atoms in block 126
Block first atom: 998
Blocpdb> 5 atoms in block 127
Block first atom: 1006
Blocpdb> 9 atoms in block 128
Block first atom: 1011
Blocpdb> 4 atoms in block 129
Block first atom: 1020
Blocpdb> 5 atoms in block 130
Block first atom: 1024
Blocpdb> 8 atoms in block 131
Block first atom: 1029
Blocpdb> 8 atoms in block 132
Block first atom: 1037
Blocpdb> 9 atoms in block 133
Block first atom: 1045
Blocpdb> 5 atoms in block 134
Block first atom: 1054
Blocpdb> 8 atoms in block 135
Block first atom: 1059
Blocpdb> 9 atoms in block 136
Block first atom: 1067
Blocpdb> 8 atoms in block 137
Block first atom: 1076
Blocpdb> 11 atoms in block 138
Block first atom: 1084
Blocpdb> 11 atoms in block 139
Block first atom: 1095
Blocpdb> 9 atoms in block 140
Block first atom: 1106
Blocpdb> 8 atoms in block 141
Block first atom: 1115
Blocpdb> 8 atoms in block 142
Block first atom: 1123
Blocpdb> 5 atoms in block 143
Block first atom: 1131
Blocpdb> 5 atoms in block 144
Block first atom: 1136
Blocpdb> 9 atoms in block 145
Block first atom: 1141
Blocpdb> 12 atoms in block 146
Block first atom: 1150
Blocpdb> 9 atoms in block 147
Block first atom: 1162
Blocpdb> 9 atoms in block 148
Block first atom: 1171
Blocpdb> 8 atoms in block 149
Block first atom: 1180
Blocpdb> 4 atoms in block 150
Block first atom: 1188
Blocpdb> 12 atoms in block 151
Block first atom: 1192
Blocpdb> 9 atoms in block 152
Block first atom: 1204
Blocpdb> 4 atoms in block 153
Block first atom: 1212
Blocpdb> 153 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 423883 matrix lines read.
Prepmat> Matrix order = 3648
Prepmat> Matrix trace = 940440.0000
Prepmat> Last element read: 3648 3648 68.8568
Prepmat> 11782 lines saved.
Prepmat> 9952 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: 1216
RTB> Total mass = 1216.0000
RTB> Number of atoms found in matrix: 1216
RTB> Number of blocks = 153
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 212867.0870
RTB> 63516 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 = 918
Diagstd> Nb of non-zero elements: 63516
Diagstd> Projected matrix trace = 212867.0870
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 918 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 212867.0870
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 4.3086785 5.1737219 7.1389115 8.2282489
9.2322323 11.1605524 11.6510707 13.0094612 14.7448752
16.0196127 17.6043353 17.9203280 19.4347250 20.8152828
22.6860655 24.2445616 25.2303500 25.5974803 26.2566958
27.2539131 29.7406281 29.9427247 30.8458861 31.4585154
33.1670885 34.0691802 35.3846970 36.0931489 36.8818806
37.7066508 38.3834653 39.3706470 40.8454945 41.4251778
42.7321300 43.4924990 43.9186347 44.1743872 45.8865424
46.9281811 47.0896080 48.2272148 49.7423475 50.3027452
51.7927322 51.9690233 53.2323925 53.4597630 54.2559656
54.4808824 56.2596706 58.1421091 58.5215940 58.9424377
59.4378137 59.9775242 61.9188433 62.6560345 63.7430549
64.5711018 66.8279252 68.1600994 68.2413322 68.4301089
69.7756052 70.5540874 71.0250862 72.4027238 72.7954455
74.7122420 74.9161775 75.7933589 76.4871952 76.9148330
77.7276836 78.2387432 79.5937040 80.0980954 81.4655562
81.9462593 82.4075040 83.3762906 83.5555624 83.8384418
85.5043628 86.0222403 86.2510934 86.8475547 87.4424351
87.6350126 88.8785894 89.5091268 90.7930209 91.4446839
92.1407155 93.1229273 94.0819845 95.3221813 95.6725024
96.8140262
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034336 0.0034338 0.0034339 0.0034341
0.0034343 225.4069617 246.9999241 290.1424531 311.4935021
329.9503864 362.7756471 370.6621147 391.6741734 416.9805819
434.6315877 455.6224299 459.6933890 478.7232056 495.4347192
517.2194776 534.6904759 545.4524760 549.4066207 556.4361237
566.9042510 592.2026526 594.2113449 603.1063565 609.0660498
625.3871523 633.8348615 645.9561256 652.3905579 659.4802727
666.8133098 672.7711667 681.3677220 694.0126067 698.9200039
709.8597481 716.1474688 719.6472926 721.7396206 735.5936092
743.8958591 745.1742131 754.1215837 765.8759264 770.1780262
781.5012758 782.8301748 792.2883557 793.9785958 799.8693008
801.5255059 814.5052216 828.0197033 830.7174892 833.6990889
837.1951300 840.9875131 854.4894355 859.5610596 866.9852660
872.5983325 887.7164529 896.5208369 897.0549118 898.2948210
907.0831221 912.1292224 915.1687144 924.0016200 926.5041831
938.6229413 939.9031072 945.3896799 949.7070199 952.3582123
957.3773378 960.5195592 968.8011331 971.8659686 980.1268660
983.0143258 985.7769533 991.5544436 992.6198682 994.2987174
1004.1287868 1007.1650683 1008.5039070 1011.9850057 1015.4449915
1016.5625516 1023.7498637 1027.3748748 1034.7168311 1038.4235095
1042.3680005 1047.9090476 1053.2913435 1060.2109034 1062.1573215
1068.4751378
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1216
Rtb_to_modes> Number of blocs = 153
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: 9.9931E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9980E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.309
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.174
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.139
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.228
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.232
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 11.16
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.74
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 16.02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 17.60
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 17.92
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 20.82
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 22.69
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 24.24
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 25.23
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 25.60
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 26.26
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 27.25
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 29.94
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 30.85
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 31.46
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 33.17
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 34.07
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 35.38
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 36.09
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 36.88
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 37.71
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 38.38
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 39.37
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 40.85
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 41.43
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 42.73
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 43.49
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 43.92
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 44.17
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 45.89
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 46.93
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 47.09
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 48.23
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 49.74
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 50.30
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 51.79
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 51.97
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 53.23
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 53.46
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 54.26
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 54.48
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 56.26
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 58.14
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 58.52
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 58.94
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 59.44
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 59.98
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 61.92
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 62.66
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 63.74
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 64.57
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 66.83
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 68.16
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 68.24
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 68.43
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 69.78
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 70.55
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 71.03
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 72.40
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 72.80
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 74.71
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 74.92
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 75.79
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 76.49
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 76.91
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 77.73
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 78.24
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 79.59
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 80.10
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 81.47
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 81.95
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 82.41
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 83.38
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 83.56
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 83.84
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 85.50
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 86.02
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 86.25
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 86.85
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 87.44
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 87.64
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 88.88
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 89.51
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 90.79
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 91.44
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 92.14
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 93.12
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 94.08
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 95.32
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 95.67
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 96.81
Rtb_to_modes> 106 vectors, with 918 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 0.99999 1.00003 0.99999
1.00001 1.00001 0.99995 0.99999 1.00001
0.99997 0.99998 1.00000 1.00000 1.00000
0.99999 1.00002 1.00002 0.99999 0.99999
0.99998 1.00000 1.00005 1.00002 0.99999
0.99998 1.00002 0.99997 1.00000 0.99998
0.99999 1.00000 0.99997 1.00000 1.00001
1.00000 1.00001 1.00000 0.99998 1.00000
0.99999 1.00002 0.99999 1.00001 1.00000
1.00001 0.99997 1.00003 1.00000 1.00000
1.00000 1.00001 0.99999 0.99997 1.00000
1.00000 1.00001 1.00000 0.99997 1.00000
0.99998 0.99999 1.00001 0.99999 0.99999
1.00000 1.00000 0.99998 0.99999 0.99998
1.00000 1.00004 1.00000 0.99997 1.00002
1.00001 0.99999 1.00001 0.99998 0.99998
1.00002 1.00000 0.99999 0.99999 0.99999
1.00000 0.99999 1.00001 1.00000 1.00001
0.99999 0.99999 1.00003 1.00000 0.99998
0.99999 1.00000 1.00002 0.99998 0.99998
1.00003 1.00000 0.99999 1.00001 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 21888 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 0.99999 1.00003 0.99999
1.00001 1.00001 0.99995 0.99999 1.00001
0.99997 0.99998 1.00000 1.00000 1.00000
0.99999 1.00002 1.00002 0.99999 0.99999
0.99998 1.00000 1.00005 1.00002 0.99999
0.99998 1.00002 0.99997 1.00000 0.99998
0.99999 1.00000 0.99997 1.00000 1.00001
1.00000 1.00001 1.00000 0.99998 1.00000
0.99999 1.00002 0.99999 1.00001 1.00000
1.00001 0.99997 1.00003 1.00000 1.00000
1.00000 1.00001 0.99999 0.99997 1.00000
1.00000 1.00001 1.00000 0.99997 1.00000
0.99998 0.99999 1.00001 0.99999 0.99999
1.00000 1.00000 0.99998 0.99999 0.99998
1.00000 1.00004 1.00000 0.99997 1.00002
1.00001 0.99999 1.00001 0.99998 0.99998
1.00002 1.00000 0.99999 0.99999 0.99999
1.00000 0.99999 1.00001 1.00000 1.00001
0.99999 0.99999 1.00003 1.00000 0.99998
0.99999 1.00000 1.00002 0.99998 0.99998
1.00003 1.00000 0.99999 1.00001 1.00000
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> 2403142101193190884.eigenfacs
Openam> file on opening on unit 10:
2403142101193190884.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403142101193190884.atom
Openam> file on opening on unit 11:
2403142101193190884.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 = 153
First residue number = 1
Last residue number = 153
Number of atoms found = 1216
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9980E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-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: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 20.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 22.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 24.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 25.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 25.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 26.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 27.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 29.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 30.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 31.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 33.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 34.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 35.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 36.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 36.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 37.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 38.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 39.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 40.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 41.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 42.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 43.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 43.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 44.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 45.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 46.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 47.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 48.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 49.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 50.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 51.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 51.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 53.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 53.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 54.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 54.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 56.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 58.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 58.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 58.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 59.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 59.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 61.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 62.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 63.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 64.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 66.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 68.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 68.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 68.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 69.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 70.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 71.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 72.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 72.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 74.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 74.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 75.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 76.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 76.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 77.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 78.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 79.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 80.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 81.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 81.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 82.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 83.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 83.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 83.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 85.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 86.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 86.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 86.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 87.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 87.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 88.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 89.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 90.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 91.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 92.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 93.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 94.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 95.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 95.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 96.81
Bfactors> 106 vectors, 3648 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 : 4.309000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.032 +/- 0.05
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.032
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403142101193190884 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=0
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=100
2403142101193190884.eigenfacs
2403142101193190884.atom
making animated gifs
11 models are in 2403142101193190884.7.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 2403142101193190884.7.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 2403142101193190884.7.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 2403142101193190884 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=0
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=100
2403142101193190884.eigenfacs
2403142101193190884.atom
making animated gifs
11 models are in 2403142101193190884.8.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 2403142101193190884.8.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 2403142101193190884.8.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 2403142101193190884 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=0
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=100
2403142101193190884.eigenfacs
2403142101193190884.atom
making animated gifs
11 models are in 2403142101193190884.9.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 2403142101193190884.9.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 2403142101193190884.9.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 2403142101193190884 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=0
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=100
2403142101193190884.eigenfacs
2403142101193190884.atom
making animated gifs
11 models are in 2403142101193190884.10.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 2403142101193190884.10.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 2403142101193190884.10.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 2403142101193190884 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=-20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=0
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=20
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=40
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=60
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=80
2403142101193190884.eigenfacs
2403142101193190884.atom
calculating perturbed structure for DQ=100
2403142101193190884.eigenfacs
2403142101193190884.atom
making animated gifs
11 models are in 2403142101193190884.11.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 2403142101193190884.11.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 2403142101193190884.11.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
2403142101193190884.10.pdb
2403142101193190884.11.pdb
2403142101193190884.7.pdb
2403142101193190884.8.pdb
2403142101193190884.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m10.888s
user 0m10.872s
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: 2403142101193190884.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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