*** OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-AUG-18 6MA7 ***
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 = 2404101705353327104.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 2404101705353327104.atom to be opened.
Openam> File opened: 2404101705353327104.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 = 463
First residue number = 26
Last residue number = 497
Number of atoms found = 3733
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -19.104583 +/- 9.679337 From: -41.148000 To: 3.565000
= -23.764917 +/- 15.676814 From: -57.792000 To: 11.815000
= -12.955483 +/- 13.002921 From: -41.155000 To: 22.557000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.2568 % Filled.
Pdbmat> 1415359 non-zero elements.
Pdbmat> 154801 atom-atom interactions.
Pdbmat> Number per atom= 82.94 +/- 21.75
Maximum number = 133
Minimum number = 14
Pdbmat> Matrix trace = 3.096020E+06
Pdbmat> Larger element = 501.376
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
463 non-zero elements, NRBL set to 3
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 = 2404101705353327104.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2404101705353327104.atom to be opened.
Openam> file on opening on unit 11:
2404101705353327104.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3733 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 463 residues.
Blocpdb> 21 atoms in block 1
Block first atom: 1
Blocpdb> 20 atoms in block 2
Block first atom: 22
Blocpdb> 28 atoms in block 3
Block first atom: 42
Blocpdb> 21 atoms in block 4
Block first atom: 70
Blocpdb> 19 atoms in block 5
Block first atom: 91
Blocpdb> 21 atoms in block 6
Block first atom: 110
Blocpdb> 26 atoms in block 7
Block first atom: 131
Blocpdb> 20 atoms in block 8
Block first atom: 157
Blocpdb> 22 atoms in block 9
Block first atom: 177
Blocpdb> 31 atoms in block 10
Block first atom: 199
Blocpdb> 21 atoms in block 11
Block first atom: 230
Blocpdb> 27 atoms in block 12
Block first atom: 251
Blocpdb> 28 atoms in block 13
Block first atom: 278
Blocpdb> 28 atoms in block 14
Block first atom: 306
Blocpdb> 25 atoms in block 15
Block first atom: 334
Blocpdb> 25 atoms in block 16
Block first atom: 359
Blocpdb> 31 atoms in block 17
Block first atom: 384
Blocpdb> 22 atoms in block 18
Block first atom: 415
Blocpdb> 22 atoms in block 19
Block first atom: 437
Blocpdb> 20 atoms in block 20
Block first atom: 459
Blocpdb> 23 atoms in block 21
Block first atom: 479
Blocpdb> 25 atoms in block 22
Block first atom: 502
Blocpdb> 22 atoms in block 23
Block first atom: 527
Blocpdb> 25 atoms in block 24
Block first atom: 549
Blocpdb> 24 atoms in block 25
Block first atom: 574
Blocpdb> 25 atoms in block 26
Block first atom: 598
Blocpdb> 30 atoms in block 27
Block first atom: 623
Blocpdb> 22 atoms in block 28
Block first atom: 653
Blocpdb> 18 atoms in block 29
Block first atom: 675
Blocpdb> 28 atoms in block 30
Block first atom: 693
Blocpdb> 19 atoms in block 31
Block first atom: 721
Blocpdb> 19 atoms in block 32
Block first atom: 740
Blocpdb> 26 atoms in block 33
Block first atom: 759
Blocpdb> 32 atoms in block 34
Block first atom: 785
Blocpdb> 30 atoms in block 35
Block first atom: 817
Blocpdb> 22 atoms in block 36
Block first atom: 847
Blocpdb> 20 atoms in block 37
Block first atom: 869
Blocpdb> 24 atoms in block 38
Block first atom: 889
Blocpdb> 21 atoms in block 39
Block first atom: 913
Blocpdb> 26 atoms in block 40
Block first atom: 934
Blocpdb> 22 atoms in block 41
Block first atom: 960
Blocpdb> 22 atoms in block 42
Block first atom: 982
Blocpdb> 24 atoms in block 43
Block first atom: 1004
Blocpdb> 22 atoms in block 44
Block first atom: 1028
Blocpdb> 27 atoms in block 45
Block first atom: 1050
Blocpdb> 31 atoms in block 46
Block first atom: 1077
Blocpdb> 21 atoms in block 47
Block first atom: 1108
Blocpdb> 20 atoms in block 48
Block first atom: 1129
Blocpdb> 22 atoms in block 49
Block first atom: 1149
Blocpdb> 24 atoms in block 50
Block first atom: 1171
Blocpdb> 20 atoms in block 51
Block first atom: 1195
Blocpdb> 26 atoms in block 52
Block first atom: 1215
Blocpdb> 23 atoms in block 53
Block first atom: 1241
Blocpdb> 20 atoms in block 54
Block first atom: 1264
Blocpdb> 21 atoms in block 55
Block first atom: 1284
Blocpdb> 23 atoms in block 56
Block first atom: 1305
Blocpdb> 22 atoms in block 57
Block first atom: 1328
Blocpdb> 23 atoms in block 58
Block first atom: 1350
Blocpdb> 24 atoms in block 59
Block first atom: 1373
Blocpdb> 27 atoms in block 60
Block first atom: 1397
Blocpdb> 24 atoms in block 61
Block first atom: 1424
Blocpdb> 25 atoms in block 62
Block first atom: 1448
Blocpdb> 30 atoms in block 63
Block first atom: 1473
Blocpdb> 27 atoms in block 64
Block first atom: 1503
Blocpdb> 29 atoms in block 65
Block first atom: 1530
Blocpdb> 22 atoms in block 66
Block first atom: 1559
Blocpdb> 25 atoms in block 67
Block first atom: 1581
Blocpdb> 26 atoms in block 68
Block first atom: 1606
Blocpdb> 23 atoms in block 69
Block first atom: 1632
Blocpdb> 24 atoms in block 70
Block first atom: 1655
Blocpdb> 24 atoms in block 71
Block first atom: 1679
Blocpdb> 24 atoms in block 72
Block first atom: 1703
Blocpdb> 27 atoms in block 73
Block first atom: 1727
Blocpdb> 22 atoms in block 74
Block first atom: 1754
Blocpdb> 30 atoms in block 75
Block first atom: 1776
Blocpdb> 22 atoms in block 76
Block first atom: 1806
Blocpdb> 28 atoms in block 77
Block first atom: 1828
Blocpdb> 24 atoms in block 78
Block first atom: 1856
Blocpdb> 28 atoms in block 79
Block first atom: 1880
Blocpdb> 8 atoms in block 80
Block first atom: 1908
Blocpdb> 26 atoms in block 81
Block first atom: 1916
Blocpdb> 25 atoms in block 82
Block first atom: 1942
Blocpdb> 24 atoms in block 83
Block first atom: 1967
Blocpdb> 23 atoms in block 84
Block first atom: 1991
Blocpdb> 6 atoms in block 85
Block first atom: 2014
Blocpdb> 25 atoms in block 86
Block first atom: 2020
Blocpdb> 19 atoms in block 87
Block first atom: 2045
Blocpdb> 25 atoms in block 88
Block first atom: 2064
Blocpdb> 20 atoms in block 89
Block first atom: 2089
Blocpdb> 23 atoms in block 90
Block first atom: 2109
Blocpdb> 27 atoms in block 91
Block first atom: 2132
Blocpdb> 20 atoms in block 92
Block first atom: 2159
Blocpdb> 28 atoms in block 93
Block first atom: 2179
Blocpdb> 19 atoms in block 94
Block first atom: 2207
Blocpdb> 21 atoms in block 95
Block first atom: 2226
Blocpdb> 27 atoms in block 96
Block first atom: 2247
Blocpdb> 29 atoms in block 97
Block first atom: 2274
Blocpdb> 22 atoms in block 98
Block first atom: 2303
Blocpdb> 22 atoms in block 99
Block first atom: 2325
Blocpdb> 27 atoms in block 100
Block first atom: 2347
Blocpdb> 26 atoms in block 101
Block first atom: 2374
Blocpdb> 25 atoms in block 102
Block first atom: 2400
Blocpdb> 20 atoms in block 103
Block first atom: 2425
Blocpdb> 24 atoms in block 104
Block first atom: 2445
Blocpdb> 19 atoms in block 105
Block first atom: 2469
Blocpdb> 27 atoms in block 106
Block first atom: 2488
Blocpdb> 22 atoms in block 107
Block first atom: 2515
Blocpdb> 26 atoms in block 108
Block first atom: 2537
Blocpdb> 28 atoms in block 109
Block first atom: 2563
Blocpdb> 22 atoms in block 110
Block first atom: 2591
Blocpdb> 24 atoms in block 111
Block first atom: 2613
Blocpdb> 27 atoms in block 112
Block first atom: 2637
Blocpdb> 26 atoms in block 113
Block first atom: 2664
Blocpdb> 24 atoms in block 114
Block first atom: 2690
Blocpdb> 28 atoms in block 115
Block first atom: 2714
Blocpdb> 22 atoms in block 116
Block first atom: 2742
Blocpdb> 24 atoms in block 117
Block first atom: 2764
Blocpdb> 25 atoms in block 118
Block first atom: 2788
Blocpdb> 23 atoms in block 119
Block first atom: 2813
Blocpdb> 24 atoms in block 120
Block first atom: 2836
Blocpdb> 18 atoms in block 121
Block first atom: 2860
Blocpdb> 23 atoms in block 122
Block first atom: 2878
Blocpdb> 25 atoms in block 123
Block first atom: 2901
Blocpdb> 23 atoms in block 124
Block first atom: 2926
Blocpdb> 26 atoms in block 125
Block first atom: 2949
Blocpdb> 35 atoms in block 126
Block first atom: 2975
Blocpdb> 23 atoms in block 127
Block first atom: 3010
Blocpdb> 29 atoms in block 128
Block first atom: 3033
Blocpdb> 24 atoms in block 129
Block first atom: 3062
Blocpdb> 28 atoms in block 130
Block first atom: 3086
Blocpdb> 26 atoms in block 131
Block first atom: 3114
Blocpdb> 30 atoms in block 132
Block first atom: 3140
Blocpdb> 23 atoms in block 133
Block first atom: 3170
Blocpdb> 32 atoms in block 134
Block first atom: 3193
Blocpdb> 25 atoms in block 135
Block first atom: 3225
Blocpdb> 14 atoms in block 136
Block first atom: 3250
Blocpdb> 26 atoms in block 137
Block first atom: 3264
Blocpdb> 18 atoms in block 138
Block first atom: 3290
Blocpdb> 30 atoms in block 139
Block first atom: 3308
Blocpdb> 21 atoms in block 140
Block first atom: 3338
Blocpdb> 25 atoms in block 141
Block first atom: 3359
Blocpdb> 21 atoms in block 142
Block first atom: 3384
Blocpdb> 26 atoms in block 143
Block first atom: 3405
Blocpdb> 25 atoms in block 144
Block first atom: 3431
Blocpdb> 28 atoms in block 145
Block first atom: 3456
Blocpdb> 22 atoms in block 146
Block first atom: 3484
Blocpdb> 25 atoms in block 147
Block first atom: 3506
Blocpdb> 24 atoms in block 148
Block first atom: 3531
Blocpdb> 25 atoms in block 149
Block first atom: 3555
Blocpdb> 18 atoms in block 150
Block first atom: 3580
Blocpdb> 20 atoms in block 151
Block first atom: 3598
Blocpdb> 25 atoms in block 152
Block first atom: 3618
Blocpdb> 23 atoms in block 153
Block first atom: 3643
Blocpdb> 24 atoms in block 154
Block first atom: 3666
Blocpdb> 25 atoms in block 155
Block first atom: 3690
Blocpdb> 19 atoms in block 156
Block first atom: 3714
Blocpdb> 156 blocks.
Blocpdb> At most, 35 atoms in each of them.
Blocpdb> At least, 6 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1415515 matrix lines read.
Prepmat> Matrix order = 11199
Prepmat> Matrix trace = 3096020.0000
Prepmat> Last element read: 11199 11199 78.8555
Prepmat> 12247 lines saved.
Prepmat> 10658 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: 3733
RTB> Total mass = 3733.0000
RTB> Number of atoms found in matrix: 3733
RTB> Number of blocks = 156
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 201629.9404
RTB> 54828 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 = 936
Diagstd> Nb of non-zero elements: 54828
Diagstd> Projected matrix trace = 201629.9404
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 936 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 201629.9404
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 2.8422253 3.4462057 4.2253628 4.9585147
5.8800828 6.4618458 6.7770049 7.5874885 8.0252420
8.8106468 9.7673842 10.1777250 10.5152958 11.2035773
11.8281896 12.1968734 12.9062341 13.3967551 14.4039653
14.6270118 15.4439621 15.9291690 16.5074768 17.2443837
18.6944296 19.2259602 19.5663859 20.1389342 20.7517718
21.0057086 22.4336389 22.6019103 23.5582109 24.5001135
24.6384446 25.5509126 26.1745350 26.8024415 27.0051778
28.2080997 28.8985845 29.4262061 30.1400078 30.7503703
31.1064188 31.6158254 32.2317221 32.6823734 33.4827205
33.9464817 34.4322411 35.0261392 35.5926187 36.2500246
36.5954205 37.7616251 38.2949644 38.8117369 39.4763586
39.8842299 40.1344749 40.6849425 41.2103044 42.0345865
42.5298802 43.4828105 43.7250446 44.5176761 45.2293821
45.7047292 46.2570026 46.7226031 46.7374434 47.2886408
48.5249164 48.6294693 49.2572837 50.3969535 51.4330449
52.0538201 52.7104080 52.9921766 53.5977339 54.0139184
55.2735826 56.0123212 56.3181989 57.6078232 58.3281496
58.7382507 59.2317769 59.9700203 60.6874154 61.2788705
61.4700701 61.5337464 63.0384235 63.2785100 64.0921917
64.5693589
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034313 0.0034324 0.0034325 0.0034337 0.0034339
0.0034341 183.0730970 201.5885584 223.2170082 241.8082331
263.3219125 276.0409903 282.6924301 299.1192094 307.6269292
322.3288482 339.3785705 346.4341021 352.1324321 363.4742404
373.4688793 379.2447162 390.1171567 397.4615203 412.1319787
415.3106678 426.7510950 433.4029270 441.2001260 450.9403721
469.5170741 476.1450784 480.3420284 487.3191996 494.6783136
497.6957689 514.3338916 516.2592591 527.0677367 537.5010640
539.0163320 548.9066452 555.5648594 562.1891492 564.3113702
576.7428184 583.7589688 589.0639113 596.1656655 602.1718576
605.6479999 610.5869843 616.5056134 620.8005228 628.3558305
632.6924694 637.2031665 642.6750131 647.8511761 653.8067997
656.9142025 667.2992217 671.9951144 676.5140489 682.2818572
685.7974811 687.9455613 692.6472806 697.1049900 704.0421651
708.1778838 716.0676987 718.0594644 724.5385922 730.3072422
734.1348656 738.5570087 742.2646808 742.3825524 746.7473604
756.4455603 757.2600489 762.1325491 770.8988932 778.7828844
783.4685785 788.3942878 790.4986987 795.0024999 798.0831147
807.3355706 812.7127358 814.9287863 824.2064575 829.3433754
832.2537958 835.7428326 840.9349029 845.9498179 850.0621052
851.3872354 851.8280935 862.1800152 863.8202931 869.3563725
872.5865557
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3733
Rtb_to_modes> Number of blocs = 156
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9842E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9910E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9916E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9986E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.842
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.446
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.225
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.959
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.880
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.462
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.777
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.587
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.025
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.811
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.767
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.18
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.83
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 12.20
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 12.91
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 13.40
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 14.40
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 14.63
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 15.44
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 15.93
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 16.51
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.24
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.69
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.23
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.57
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.14
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 20.75
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.01
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.43
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.60
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.56
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 24.50
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.64
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.55
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 26.17
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.80
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 27.01
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 28.21
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 28.90
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 29.43
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 30.14
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 31.11
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 31.62
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 32.68
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 33.48
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 33.95
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 34.43
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 35.03
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 35.59
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 36.25
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 36.60
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 37.76
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.29
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 38.81
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 39.48
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 39.88
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.13
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 40.68
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 41.21
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 42.03
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 42.53
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 43.48
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 43.73
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 44.52
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.23
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 45.70
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.26
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 46.72
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 46.74
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 47.29
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 48.52
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 48.63
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.26
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.40
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 51.43
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 52.05
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 52.71
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 52.99
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.60
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 54.01
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 55.27
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 56.01
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 56.32
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 57.61
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 58.33
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 58.74
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 59.23
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 59.97
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 60.69
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 61.28
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 61.47
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 61.53
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.04
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 63.28
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 64.09
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 64.57
Rtb_to_modes> 106 vectors, with 936 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 0.99999 0.99998 1.00000
1.00000 1.00001 0.99999 1.00000 0.99999
0.99999 0.99997 1.00000 1.00000 1.00000
0.99999 0.99999 1.00000 0.99999 0.99999
0.99999 1.00001 1.00001 0.99999 1.00002
1.00002 1.00000 1.00000 0.99999 1.00000
1.00000 1.00003 0.99997 0.99999 1.00000
0.99998 1.00002 1.00000 1.00001 1.00002
1.00002 0.99998 1.00000 0.99998 1.00000
0.99999 0.99999 1.00001 1.00000 1.00000
1.00000 1.00000 1.00000 1.00000 0.99999
1.00003 1.00002 1.00001 1.00001 1.00001
0.99996 1.00000 1.00000 1.00000 0.99999
1.00001 1.00002 1.00000 1.00001 0.99997
1.00001 1.00000 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 1.00001 1.00001
1.00004 1.00000 0.99998 0.99998 1.00000
1.00003 1.00000 1.00002 1.00001 0.99999
1.00002 1.00000 1.00000 1.00000 1.00001
1.00001 0.99998 1.00001 1.00002 1.00001
1.00002 1.00003 0.99998 0.99998 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 67194 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 0.99999 0.99998 1.00000
1.00000 1.00001 0.99999 1.00000 0.99999
0.99999 0.99997 1.00000 1.00000 1.00000
0.99999 0.99999 1.00000 0.99999 0.99999
0.99999 1.00001 1.00001 0.99999 1.00002
1.00002 1.00000 1.00000 0.99999 1.00000
1.00000 1.00003 0.99997 0.99999 1.00000
0.99998 1.00002 1.00000 1.00001 1.00002
1.00002 0.99998 1.00000 0.99998 1.00000
0.99999 0.99999 1.00001 1.00000 1.00000
1.00000 1.00000 1.00000 1.00000 0.99999
1.00003 1.00002 1.00001 1.00001 1.00001
0.99996 1.00000 1.00000 1.00000 0.99999
1.00001 1.00002 1.00000 1.00001 0.99997
1.00001 1.00000 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 1.00001 1.00001
1.00004 1.00000 0.99998 0.99998 1.00000
1.00003 1.00000 1.00002 1.00001 0.99999
1.00002 1.00000 1.00000 1.00000 1.00001
1.00001 0.99998 1.00001 1.00002 1.00001
1.00002 1.00003 0.99998 0.99998 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000 0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6:-0.000-0.000-0.000 0.000-0.000
Vector 7:-0.000-0.000 0.000 0.000-0.000-0.000
Vector 8:-0.000 0.000 0.000-0.000 0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000-0.000 0.000-0.000-0.000 0.000
Vector 10:-0.000-0.000 0.000-0.000-0.000 0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404101705353327104.eigenfacs
Openam> file on opening on unit 10:
2404101705353327104.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404101705353327104.atom
Openam> file on opening on unit 11:
2404101705353327104.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 = 463
First residue number = 26
Last residue number = 497
Number of atoms found = 3733
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9842E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9910E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9986E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.842
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 12.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 13.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 14.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 14.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 15.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 16.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 24.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 26.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 27.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 28.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 28.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 29.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 30.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 31.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 31.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 32.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 33.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 33.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 34.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 35.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 35.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 36.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 36.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 37.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 38.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 39.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 39.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 40.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 41.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 42.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 42.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 43.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 43.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 44.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 45.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 46.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 46.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 47.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 48.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 48.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 51.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 52.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 52.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 52.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 54.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 55.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 56.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 56.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 57.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 58.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 58.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 59.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 59.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 60.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 61.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 61.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 61.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 63.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 64.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 64.57
Bfactors> 106 vectors, 11199 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 : 2.842000
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= 0.473 for 466 C-alpha atoms.
Bfactors> = 0.019 +/- 0.03
Bfactors> = 80.784 +/- 24.00
Bfactors> Shiftng-fct= 80.765
Bfactors> Scaling-fct= 799.472
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404101705353327104 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=0
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=100
2404101705353327104.eigenfacs
2404101705353327104.atom
making animated gifs
11 models are in 2404101705353327104.7.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 2404101705353327104.7.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 2404101705353327104.7.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 2404101705353327104 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=0
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=100
2404101705353327104.eigenfacs
2404101705353327104.atom
making animated gifs
11 models are in 2404101705353327104.8.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 2404101705353327104.8.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 2404101705353327104.8.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 2404101705353327104 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=0
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=100
2404101705353327104.eigenfacs
2404101705353327104.atom
making animated gifs
11 models are in 2404101705353327104.9.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 2404101705353327104.9.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 2404101705353327104.9.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 2404101705353327104 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=0
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=100
2404101705353327104.eigenfacs
2404101705353327104.atom
making animated gifs
11 models are in 2404101705353327104.10.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 2404101705353327104.10.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 2404101705353327104.10.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 2404101705353327104 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=-20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=0
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=20
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=40
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=60
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=80
2404101705353327104.eigenfacs
2404101705353327104.atom
calculating perturbed structure for DQ=100
2404101705353327104.eigenfacs
2404101705353327104.atom
making animated gifs
11 models are in 2404101705353327104.11.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 2404101705353327104.11.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 2404101705353327104.11.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
2404101705353327104.10.pdb
2404101705353327104.11.pdb
2404101705353327104.7.pdb
2404101705353327104.8.pdb
2404101705353327104.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m16.284s
user 0m16.219s
sys 0m0.064s
../../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: 2404101705353327104.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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