*** 7DFR ***
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 = 2404100221563224898.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 2404100221563224898.atom to be opened.
Openam> File opened: 2404100221563224898.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 = 159
First residue number = 1
Last residue number = 159
Number of atoms found = 1229
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 14.532669 +/- 8.200247 From: -6.268000 To: 31.740000
= 20.973708 +/- 7.074126 From: 3.649000 To: 40.366000
= 34.898598 +/- 10.681507 From: 10.907000 To: 58.074000
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 6.4065 % Filled.
Pdbmat> 435569 non-zero elements.
Pdbmat> 47585 atom-atom interactions.
Pdbmat> Number per atom= 77.44 +/- 22.59
Maximum number = 125
Minimum number = 18
Pdbmat> Matrix trace = 951700.
Pdbmat> Larger element = 466.654
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
159 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 = 2404100221563224898.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 2404100221563224898.atom to be opened.
Openam> file on opening on unit 11:
2404100221563224898.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1229 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> 159 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 9
Blocpdb> 6 atoms in block 3
Block first atom: 17
Blocpdb> 8 atoms in block 4
Block first atom: 23
Blocpdb> 8 atoms in block 5
Block first atom: 31
Blocpdb> 5 atoms in block 6
Block first atom: 39
Blocpdb> 5 atoms in block 7
Block first atom: 44
Blocpdb> 8 atoms in block 8
Block first atom: 49
Blocpdb> 5 atoms in block 9
Block first atom: 57
Blocpdb> 7 atoms in block 10
Block first atom: 62
Blocpdb> 8 atoms in block 11
Block first atom: 69
Blocpdb> 11 atoms in block 12
Block first atom: 77
Blocpdb> 7 atoms in block 13
Block first atom: 88
Blocpdb> 8 atoms in block 14
Block first atom: 95
Blocpdb> 4 atoms in block 15
Block first atom: 103
Blocpdb> 8 atoms in block 16
Block first atom: 107
Blocpdb> 5 atoms in block 17
Block first atom: 115
Blocpdb> 8 atoms in block 18
Block first atom: 120
Blocpdb> 5 atoms in block 19
Block first atom: 128
Blocpdb> 8 atoms in block 20
Block first atom: 133
Blocpdb> 7 atoms in block 21
Block first atom: 141
Blocpdb> 14 atoms in block 22
Block first atom: 148
Blocpdb> 8 atoms in block 23
Block first atom: 162
Blocpdb> 8 atoms in block 24
Block first atom: 170
Blocpdb> 7 atoms in block 25
Block first atom: 178
Blocpdb> 5 atoms in block 26
Block first atom: 185
Blocpdb> 8 atoms in block 27
Block first atom: 190
Blocpdb> 8 atoms in block 28
Block first atom: 198
Blocpdb> 5 atoms in block 29
Block first atom: 206
Blocpdb> 14 atoms in block 30
Block first atom: 211
Blocpdb> 11 atoms in block 31
Block first atom: 225
Blocpdb> 9 atoms in block 32
Block first atom: 236
Blocpdb> 11 atoms in block 33
Block first atom: 245
Blocpdb> 8 atoms in block 34
Block first atom: 256
Blocpdb> 7 atoms in block 35
Block first atom: 264
Blocpdb> 8 atoms in block 36
Block first atom: 271
Blocpdb> 8 atoms in block 37
Block first atom: 279
Blocpdb> 9 atoms in block 38
Block first atom: 287
Blocpdb> 7 atoms in block 39
Block first atom: 296
Blocpdb> 7 atoms in block 40
Block first atom: 303
Blocpdb> 8 atoms in block 41
Block first atom: 310
Blocpdb> 8 atoms in block 42
Block first atom: 318
Blocpdb> 4 atoms in block 43
Block first atom: 326
Blocpdb> 7 atoms in block 44
Block first atom: 330
Blocpdb> 10 atoms in block 45
Block first atom: 337
Blocpdb> 7 atoms in block 46
Block first atom: 347
Blocpdb> 14 atoms in block 47
Block first atom: 354
Blocpdb> 5 atoms in block 48
Block first atom: 368
Blocpdb> 6 atoms in block 49
Block first atom: 373
Blocpdb> 8 atoms in block 50
Block first atom: 379
Blocpdb> 4 atoms in block 51
Block first atom: 387
Blocpdb> 6 atoms in block 52
Block first atom: 391
Blocpdb> 7 atoms in block 53
Block first atom: 397
Blocpdb> 8 atoms in block 54
Block first atom: 404
Blocpdb> 7 atoms in block 55
Block first atom: 412
Blocpdb> 4 atoms in block 56
Block first atom: 419
Blocpdb> 11 atoms in block 57
Block first atom: 423
Blocpdb> 9 atoms in block 58
Block first atom: 434
Blocpdb> 8 atoms in block 59
Block first atom: 443
Blocpdb> 8 atoms in block 60
Block first atom: 451
Blocpdb> 8 atoms in block 61
Block first atom: 459
Blocpdb> 8 atoms in block 62
Block first atom: 467
Blocpdb> 6 atoms in block 63
Block first atom: 475
Blocpdb> 6 atoms in block 64
Block first atom: 481
Blocpdb> 9 atoms in block 65
Block first atom: 487
Blocpdb> 7 atoms in block 66
Block first atom: 496
Blocpdb> 4 atoms in block 67
Block first atom: 503
Blocpdb> 7 atoms in block 68
Block first atom: 507
Blocpdb> 8 atoms in block 69
Block first atom: 514
Blocpdb> 8 atoms in block 70
Block first atom: 522
Blocpdb> 11 atoms in block 71
Block first atom: 530
Blocpdb> 7 atoms in block 72
Block first atom: 541
Blocpdb> 7 atoms in block 73
Block first atom: 548
Blocpdb> 14 atoms in block 74
Block first atom: 555
Blocpdb> 7 atoms in block 75
Block first atom: 569
Blocpdb> 9 atoms in block 76
Block first atom: 576
Blocpdb> 6 atoms in block 77
Block first atom: 585
Blocpdb> 7 atoms in block 78
Block first atom: 591
Blocpdb> 8 atoms in block 79
Block first atom: 598
Blocpdb> 9 atoms in block 80
Block first atom: 606
Blocpdb> 5 atoms in block 81
Block first atom: 615
Blocpdb> 8 atoms in block 82
Block first atom: 620
Blocpdb> 5 atoms in block 83
Block first atom: 628
Blocpdb> 5 atoms in block 84
Block first atom: 633
Blocpdb> 6 atoms in block 85
Block first atom: 638
Blocpdb> 4 atoms in block 86
Block first atom: 644
Blocpdb> 8 atoms in block 87
Block first atom: 648
Blocpdb> 7 atoms in block 88
Block first atom: 656
Blocpdb> 7 atoms in block 89
Block first atom: 663
Blocpdb> 9 atoms in block 90
Block first atom: 670
Blocpdb> 8 atoms in block 91
Block first atom: 679
Blocpdb> 8 atoms in block 92
Block first atom: 687
Blocpdb> 7 atoms in block 93
Block first atom: 695
Blocpdb> 8 atoms in block 94
Block first atom: 702
Blocpdb> 4 atoms in block 95
Block first atom: 710
Blocpdb> 4 atoms in block 96
Block first atom: 714
Blocpdb> 4 atoms in block 97
Block first atom: 718
Blocpdb> 5 atoms in block 98
Block first atom: 722
Blocpdb> 7 atoms in block 99
Block first atom: 727
Blocpdb> 12 atoms in block 100
Block first atom: 734
Blocpdb> 9 atoms in block 101
Block first atom: 746
Blocpdb> 9 atoms in block 102
Block first atom: 755
Blocpdb> 11 atoms in block 103
Block first atom: 764
Blocpdb> 8 atoms in block 104
Block first atom: 775
Blocpdb> 7 atoms in block 105
Block first atom: 783
Blocpdb> 6 atoms in block 106
Block first atom: 790
Blocpdb> 5 atoms in block 107
Block first atom: 796
Blocpdb> 9 atoms in block 108
Block first atom: 801
Blocpdb> 9 atoms in block 109
Block first atom: 810
Blocpdb> 8 atoms in block 110
Block first atom: 819
Blocpdb> 12 atoms in block 111
Block first atom: 827
Blocpdb> 8 atoms in block 112
Block first atom: 839
Blocpdb> 7 atoms in block 113
Block first atom: 847
Blocpdb> 10 atoms in block 114
Block first atom: 854
Blocpdb> 8 atoms in block 115
Block first atom: 864
Blocpdb> 6 atoms in block 116
Block first atom: 872
Blocpdb> 5 atoms in block 117
Block first atom: 878
Blocpdb> 9 atoms in block 118
Block first atom: 883
Blocpdb> 7 atoms in block 119
Block first atom: 892
Blocpdb> 7 atoms in block 120
Block first atom: 899
Blocpdb> 4 atoms in block 121
Block first atom: 906
Blocpdb> 8 atoms in block 122
Block first atom: 910
Blocpdb> 7 atoms in block 123
Block first atom: 918
Blocpdb> 10 atoms in block 124
Block first atom: 925
Blocpdb> 11 atoms in block 125
Block first atom: 935
Blocpdb> 7 atoms in block 126
Block first atom: 946
Blocpdb> 8 atoms in block 127
Block first atom: 953
Blocpdb> 12 atoms in block 128
Block first atom: 961
Blocpdb> 4 atoms in block 129
Block first atom: 973
Blocpdb> 7 atoms in block 130
Block first atom: 977
Blocpdb> 4 atoms in block 131
Block first atom: 984
Blocpdb> 8 atoms in block 132
Block first atom: 988
Blocpdb> 14 atoms in block 133
Block first atom: 996
Blocpdb> 9 atoms in block 134
Block first atom: 1010
Blocpdb> 6 atoms in block 135
Block first atom: 1019
Blocpdb> 7 atoms in block 136
Block first atom: 1025
Blocpdb> 11 atoms in block 137
Block first atom: 1032
Blocpdb> 6 atoms in block 138
Block first atom: 1043
Blocpdb> 9 atoms in block 139
Block first atom: 1049
Blocpdb> 11 atoms in block 140
Block first atom: 1058
Blocpdb> 10 atoms in block 141
Block first atom: 1069
Blocpdb> 8 atoms in block 142
Block first atom: 1079
Blocpdb> 5 atoms in block 143
Block first atom: 1087
Blocpdb> 8 atoms in block 144
Block first atom: 1092
Blocpdb> 5 atoms in block 145
Block first atom: 1100
Blocpdb> 9 atoms in block 146
Block first atom: 1105
Blocpdb> 8 atoms in block 147
Block first atom: 1114
Blocpdb> 6 atoms in block 148
Block first atom: 1122
Blocpdb> 10 atoms in block 149
Block first atom: 1128
Blocpdb> 6 atoms in block 150
Block first atom: 1138
Blocpdb> 12 atoms in block 151
Block first atom: 1144
Blocpdb> 6 atoms in block 152
Block first atom: 1156
Blocpdb> 11 atoms in block 153
Block first atom: 1162
Blocpdb> 9 atoms in block 154
Block first atom: 1173
Blocpdb> 8 atoms in block 155
Block first atom: 1182
Blocpdb> 8 atoms in block 156
Block first atom: 1190
Blocpdb> 9 atoms in block 157
Block first atom: 1198
Blocpdb> 11 atoms in block 158
Block first atom: 1207
Blocpdb> 12 atoms in block 159
Block first atom: 1217
Blocpdb> 159 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> 435728 matrix lines read.
Prepmat> Matrix order = 3687
Prepmat> Matrix trace = 951700.0000
Prepmat> Last element read: 3687 3687 94.8211
Prepmat> 12721 lines saved.
Prepmat> 10797 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: 1229
RTB> Total mass = 1229.0000
RTB> Number of atoms found in matrix: 1229
RTB> Number of blocks = 159
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 221960.1675
RTB> 66843 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 = 954
Diagstd> Nb of non-zero elements: 66843
Diagstd> Projected matrix trace = 221960.1675
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 954 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 221960.1675
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 3.4296929 5.2057153 5.6269453 7.0599796
8.6235183 9.8717792 13.0033352 14.0628993 14.2344939
15.5159139 16.1859605 16.8366972 18.0843678 18.9248935
21.4584689 22.1237225 22.6369211 25.2508258 25.5553169
25.8719698 26.1158169 28.5407973 29.0486416 29.5273574
30.6774867 32.2394794 32.5290919 33.0107856 34.2900886
35.5143327 35.7842152 36.3147574 37.3674301 38.0134818
38.4671480 38.7255617 41.1296924 41.6073977 42.2932724
44.5944532 45.8240146 46.3311104 47.0929873 48.1215001
48.8304701 50.1606291 50.3779782 51.9618000 52.9049950
53.0856333 53.8910618 54.4610003 55.3746677 56.2279578
56.7334104 59.1543396 59.6049381 60.4796466 60.8700751
61.6277012 62.5071355 63.9612895 64.1544440 64.7791354
65.7932449 66.4128681 66.6132858 68.1405886 69.0880080
69.3979925 70.3269149 71.2748449 71.5809010 71.9030426
72.8019501 73.6062846 74.1095060 75.7518223 76.6514926
77.6026607 78.2548551 78.5355657 79.2857958 80.1467374
80.7394696 81.2168769 82.3341562 83.0234809 83.6024954
84.6774296 85.4780555 85.9014745 86.9088145 87.7280433
88.3681181 88.8716305 89.7648810 90.2164911 91.3195491
91.9735705
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034323 0.0034331 0.0034332 0.0034335
0.0034340 201.1050129 247.7624495 257.5915577 288.5340055
318.8875218 341.1874104 391.5819452 407.2233889 409.7003127
427.7440344 436.8823693 445.5779911 461.7925744 472.4022990
503.0308791 510.7688238 516.6589520 545.6737633 548.9539521
552.3444930 554.9413522 580.1340160 585.2726021 590.0754832
601.4578101 616.5797971 619.3430239 623.9118156 635.8864688
647.1383093 649.5925403 654.3903011 663.8071033 669.5208490
673.5041477 675.7625858 696.4228485 700.4555119 706.2052226
725.1631081 735.0922559 739.1483891 745.2009510 753.2946083
758.8234318 769.0892967 770.7537516 782.7757691 789.8481748
791.1954514 797.1749633 801.3792394 808.0734669 814.2756269
817.9273413 835.1963458 838.3712966 844.5004834 847.2219502
852.4781660 858.5390999 868.4681297 869.7784700 874.0028600
880.8174972 884.9554301 886.2897129 896.3925133 902.6026738
904.6253092 910.6595859 916.7763910 918.7426136 920.8076405
926.5455757 931.6498716 934.8291357 945.1305964 950.7264761
956.6070699 960.6184556 962.3398461 966.9254142 972.1610213
975.7492505 978.6297698 985.3381542 989.4543204 992.8986053
999.2614042 1003.9743034 1006.4578456 1012.3418556 1017.1019848
1020.8056928 1023.7097845 1028.8415853 1031.4264069 1037.7127658
1041.4221334
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1229
Rtb_to_modes> Number of blocs = 159
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: 9.9898E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9901E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.430
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.206
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.627
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.060
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.624
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.872
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 14.06
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.23
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 15.52
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 16.19
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 16.84
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 18.08
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 21.46
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 22.12
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 22.64
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 25.56
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 25.87
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 26.12
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 28.54
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 29.05
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 29.53
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 30.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 32.24
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 32.53
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 33.01
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 34.29
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 35.51
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 35.78
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 36.31
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 37.37
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 38.01
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 38.47
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 38.73
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 41.13
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 41.61
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 42.29
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 44.59
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 45.82
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 46.33
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 47.09
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 48.83
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 50.16
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 50.38
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 51.96
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 52.90
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 53.09
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 53.89
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 54.46
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 55.37
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 56.23
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 56.73
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 59.15
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 59.60
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 60.48
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 60.87
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 61.63
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 62.51
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 63.96
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 64.15
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 64.78
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 65.79
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 66.41
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 66.61
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 68.14
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 69.09
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 69.40
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 70.33
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 71.27
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 71.58
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 71.90
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 72.80
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 73.61
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 74.11
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 75.75
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 76.65
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 77.60
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 78.25
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 78.54
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 79.29
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 80.15
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 80.74
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 81.22
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 82.33
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 83.02
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 83.60
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 84.68
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 85.48
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 85.90
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 86.91
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 87.73
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 88.37
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 88.87
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 89.76
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 90.22
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 91.32
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 91.97
Rtb_to_modes> 106 vectors, with 954 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00001 0.99997
1.00001 0.99998 0.99997 1.00000 1.00003
1.00001 1.00000 0.99999 1.00002 0.99999
1.00002 1.00004 0.99998 1.00000 0.99998
0.99998 1.00002 0.99999 1.00001 0.99998
1.00001 1.00000 1.00001 0.99997 1.00000
1.00002 1.00001 0.99999 1.00000 1.00000
1.00000 1.00001 1.00000 1.00000 1.00002
0.99997 0.99999 1.00001 0.99999 0.99997
1.00001 1.00001 1.00000 1.00000 0.99999
0.99999 0.99998 0.99995 1.00003 1.00000
0.99998 1.00000 0.99997 1.00001 1.00000
0.99998 1.00001 0.99999 0.99997 1.00000
1.00000 1.00001 0.99998 1.00001 0.99999
1.00001 1.00002 0.99999 0.99999 1.00000
0.99999 1.00003 1.00002 1.00001 1.00002
1.00000 0.99999 1.00000 0.99999 1.00000
1.00000 1.00002 0.99997 0.99998 1.00001
1.00001 0.99998 1.00002 1.00003 1.00001
1.00002 1.00001 0.99999 1.00002 1.00000
1.00002 0.99999 1.00002 0.99999 0.99998
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 22122 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00001 0.99997
1.00001 0.99998 0.99997 1.00000 1.00003
1.00001 1.00000 0.99999 1.00002 0.99999
1.00002 1.00004 0.99998 1.00000 0.99998
0.99998 1.00002 0.99999 1.00001 0.99998
1.00001 1.00000 1.00001 0.99997 1.00000
1.00002 1.00001 0.99999 1.00000 1.00000
1.00000 1.00001 1.00000 1.00000 1.00002
0.99997 0.99999 1.00001 0.99999 0.99997
1.00001 1.00001 1.00000 1.00000 0.99999
0.99999 0.99998 0.99995 1.00003 1.00000
0.99998 1.00000 0.99997 1.00001 1.00000
0.99998 1.00001 0.99999 0.99997 1.00000
1.00000 1.00001 0.99998 1.00001 0.99999
1.00001 1.00002 0.99999 0.99999 1.00000
0.99999 1.00003 1.00002 1.00001 1.00002
1.00000 0.99999 1.00000 0.99999 1.00000
1.00000 1.00002 0.99997 0.99998 1.00001
1.00001 0.99998 1.00002 1.00003 1.00001
1.00002 1.00001 0.99999 1.00002 1.00000
1.00002 0.99999 1.00002 0.99999 0.99998
1.00002
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> 2404100221563224898.eigenfacs
Openam> file on opening on unit 10:
2404100221563224898.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404100221563224898.atom
Openam> file on opening on unit 11:
2404100221563224898.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 = 159
First residue number = 1
Last residue number = 159
Number of atoms found = 1229
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9898E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.206
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 16.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 21.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 22.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 22.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 25.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 25.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 26.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 28.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 29.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 29.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 30.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 32.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 32.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 33.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 34.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 35.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 35.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 36.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 37.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 38.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 38.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 38.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 41.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 41.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 42.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 44.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 45.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 46.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 47.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 48.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 50.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 50.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 51.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 52.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 53.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 53.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 54.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 55.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 56.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 56.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 59.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 59.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 60.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 60.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 61.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 62.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 63.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 64.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 64.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 65.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 66.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 66.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 68.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 69.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 69.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 70.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 71.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 71.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 71.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 72.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 73.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 74.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 75.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 76.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 77.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 78.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 78.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 79.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 80.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 80.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 81.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 82.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 83.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 83.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 84.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 85.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 85.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 86.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 87.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 88.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 88.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 89.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 90.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 91.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 91.97
Bfactors> 106 vectors, 3687 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 : 3.430000
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= 0.471 for 159 C-alpha atoms.
Bfactors> = 0.035 +/- 0.03
Bfactors> = 43.121 +/- 9.20
Bfactors> Shiftng-fct= 43.086
Bfactors> Scaling-fct= 278.113
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404100221563224898 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=0
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=100
2404100221563224898.eigenfacs
2404100221563224898.atom
making animated gifs
11 models are in 2404100221563224898.7.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 2404100221563224898.7.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 2404100221563224898.7.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 2404100221563224898 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=0
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=100
2404100221563224898.eigenfacs
2404100221563224898.atom
making animated gifs
11 models are in 2404100221563224898.8.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 2404100221563224898.8.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 2404100221563224898.8.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 2404100221563224898 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=0
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=100
2404100221563224898.eigenfacs
2404100221563224898.atom
making animated gifs
11 models are in 2404100221563224898.9.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 2404100221563224898.9.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 2404100221563224898.9.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 2404100221563224898 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=0
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=100
2404100221563224898.eigenfacs
2404100221563224898.atom
making animated gifs
11 models are in 2404100221563224898.10.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 2404100221563224898.10.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 2404100221563224898.10.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 2404100221563224898 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=-20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=0
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=20
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=40
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=60
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=80
2404100221563224898.eigenfacs
2404100221563224898.atom
calculating perturbed structure for DQ=100
2404100221563224898.eigenfacs
2404100221563224898.atom
making animated gifs
11 models are in 2404100221563224898.11.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 2404100221563224898.11.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 2404100221563224898.11.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
2404100221563224898.10.pdb
2404100221563224898.11.pdb
2404100221563224898.7.pdb
2404100221563224898.8.pdb
2404100221563224898.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m12.113s
user 0m12.089s
sys 0m0.024s
../../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: 2404100221563224898.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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