*** FLT3_jst ***
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 = 2403190929353871101.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 2403190929353871101.atom to be opened.
Openam> File opened: 2403190929353871101.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 = 298
First residue number = 572
Last residue number = 947
Number of atoms found = 2406
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 80.358966 +/- 10.010829 From: 51.926000 To: 104.463000
= 61.813717 +/- 11.790392 From: 33.378000 To: 88.304000
= 23.743456 +/- 11.361639 From: -6.879000 To: 52.782000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.4496 % Filled.
Pdbmat> 898728 non-zero elements.
Pdbmat> 98268 atom-atom interactions.
Pdbmat> Number per atom= 81.69 +/- 23.37
Maximum number = 134
Minimum number = 10
Pdbmat> Matrix trace = 1.965360E+06
Pdbmat> Larger element = 524.976
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
298 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403190929353871101.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403190929353871101.atom to be opened.
Openam> file on opening on unit 11:
2403190929353871101.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2406 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 298 residues.
Blocpdb> 21 atoms in block 1
Block first atom: 1
Blocpdb> 15 atoms in block 2
Block first atom: 22
Blocpdb> 17 atoms in block 3
Block first atom: 37
Blocpdb> 15 atoms in block 4
Block first atom: 54
Blocpdb> 16 atoms in block 5
Block first atom: 69
Blocpdb> 11 atoms in block 6
Block first atom: 85
Blocpdb> 12 atoms in block 7
Block first atom: 96
Blocpdb> 16 atoms in block 8
Block first atom: 108
Blocpdb> 21 atoms in block 9
Block first atom: 124
Blocpdb> 23 atoms in block 10
Block first atom: 145
Blocpdb> 15 atoms in block 11
Block first atom: 168
Blocpdb> 22 atoms in block 12
Block first atom: 183
Blocpdb> 21 atoms in block 13
Block first atom: 205
Blocpdb> 21 atoms in block 14
Block first atom: 226
Blocpdb> 16 atoms in block 15
Block first atom: 247
Blocpdb> 23 atoms in block 16
Block first atom: 263
Blocpdb> 20 atoms in block 17
Block first atom: 286
Blocpdb> 18 atoms in block 18
Block first atom: 306
Blocpdb> 17 atoms in block 19
Block first atom: 324
Blocpdb> 17 atoms in block 20
Block first atom: 341
Blocpdb> 15 atoms in block 21
Block first atom: 358
Blocpdb> 16 atoms in block 22
Block first atom: 373
Blocpdb> 12 atoms in block 23
Block first atom: 389
Blocpdb> 10 atoms in block 24
Block first atom: 401
Blocpdb> 16 atoms in block 25
Block first atom: 411
Blocpdb> 13 atoms in block 26
Block first atom: 427
Blocpdb> 15 atoms in block 27
Block first atom: 440
Blocpdb> 13 atoms in block 28
Block first atom: 455
Blocpdb> 12 atoms in block 29
Block first atom: 468
Blocpdb> 16 atoms in block 30
Block first atom: 480
Blocpdb> 14 atoms in block 31
Block first atom: 496
Blocpdb> 16 atoms in block 32
Block first atom: 510
Blocpdb> 11 atoms in block 33
Block first atom: 526
Blocpdb> 14 atoms in block 34
Block first atom: 537
Blocpdb> 16 atoms in block 35
Block first atom: 551
Blocpdb> 12 atoms in block 36
Block first atom: 567
Blocpdb> 17 atoms in block 37
Block first atom: 579
Blocpdb> 17 atoms in block 38
Block first atom: 596
Blocpdb> 9 atoms in block 39
Block first atom: 613
Blocpdb> 20 atoms in block 40
Block first atom: 622
Blocpdb> 13 atoms in block 41
Block first atom: 642
Blocpdb> 14 atoms in block 42
Block first atom: 655
Blocpdb> 17 atoms in block 43
Block first atom: 669
Blocpdb> 17 atoms in block 44
Block first atom: 686
Blocpdb> 15 atoms in block 45
Block first atom: 703
Blocpdb> 17 atoms in block 46
Block first atom: 718
Blocpdb> 10 atoms in block 47
Block first atom: 735
Blocpdb> 19 atoms in block 48
Block first atom: 745
Blocpdb> 16 atoms in block 49
Block first atom: 764
Blocpdb> 15 atoms in block 50
Block first atom: 780
Blocpdb> 16 atoms in block 51
Block first atom: 795
Blocpdb> 9 atoms in block 52
Block first atom: 811
Blocpdb> 13 atoms in block 53
Block first atom: 820
Blocpdb> 14 atoms in block 54
Block first atom: 833
Blocpdb> 11 atoms in block 55
Block first atom: 847
Blocpdb> 20 atoms in block 56
Block first atom: 858
Blocpdb> 16 atoms in block 57
Block first atom: 878
Blocpdb> 20 atoms in block 58
Block first atom: 894
Blocpdb> 18 atoms in block 59
Block first atom: 914
Blocpdb> 18 atoms in block 60
Block first atom: 932
Blocpdb> 12 atoms in block 61
Block first atom: 950
Blocpdb> 16 atoms in block 62
Block first atom: 962
Blocpdb> 20 atoms in block 63
Block first atom: 978
Blocpdb> 19 atoms in block 64
Block first atom: 998
Blocpdb> 15 atoms in block 65
Block first atom: 1017
Blocpdb> 20 atoms in block 66
Block first atom: 1032
Blocpdb> 20 atoms in block 67
Block first atom: 1052
Blocpdb> 15 atoms in block 68
Block first atom: 1072
Blocpdb> 20 atoms in block 69
Block first atom: 1087
Blocpdb> 16 atoms in block 70
Block first atom: 1107
Blocpdb> 14 atoms in block 71
Block first atom: 1123
Blocpdb> 16 atoms in block 72
Block first atom: 1137
Blocpdb> 21 atoms in block 73
Block first atom: 1153
Blocpdb> 12 atoms in block 74
Block first atom: 1174
Blocpdb> 13 atoms in block 75
Block first atom: 1186
Blocpdb> 17 atoms in block 76
Block first atom: 1199
Blocpdb> 19 atoms in block 77
Block first atom: 1216
Blocpdb> 20 atoms in block 78
Block first atom: 1235
Blocpdb> 15 atoms in block 79
Block first atom: 1255
Blocpdb> 13 atoms in block 80
Block first atom: 1270
Blocpdb> 21 atoms in block 81
Block first atom: 1283
Blocpdb> 16 atoms in block 82
Block first atom: 1304
Blocpdb> 10 atoms in block 83
Block first atom: 1320
Blocpdb> 19 atoms in block 84
Block first atom: 1330
Blocpdb> 15 atoms in block 85
Block first atom: 1349
Blocpdb> 14 atoms in block 86
Block first atom: 1364
Blocpdb> 14 atoms in block 87
Block first atom: 1378
Blocpdb> 16 atoms in block 88
Block first atom: 1392
Blocpdb> 16 atoms in block 89
Block first atom: 1408
Blocpdb> 14 atoms in block 90
Block first atom: 1424
Blocpdb> 19 atoms in block 91
Block first atom: 1438
Blocpdb> 12 atoms in block 92
Block first atom: 1457
Blocpdb> 16 atoms in block 93
Block first atom: 1469
Blocpdb> 16 atoms in block 94
Block first atom: 1485
Blocpdb> 14 atoms in block 95
Block first atom: 1501
Blocpdb> 14 atoms in block 96
Block first atom: 1515
Blocpdb> 20 atoms in block 97
Block first atom: 1529
Blocpdb> 14 atoms in block 98
Block first atom: 1549
Blocpdb> 15 atoms in block 99
Block first atom: 1563
Blocpdb> 13 atoms in block 100
Block first atom: 1578
Blocpdb> 19 atoms in block 101
Block first atom: 1591
Blocpdb> 14 atoms in block 102
Block first atom: 1610
Blocpdb> 23 atoms in block 103
Block first atom: 1624
Blocpdb> 13 atoms in block 104
Block first atom: 1647
Blocpdb> 16 atoms in block 105
Block first atom: 1660
Blocpdb> 14 atoms in block 106
Block first atom: 1676
Blocpdb> 20 atoms in block 107
Block first atom: 1690
Blocpdb> 12 atoms in block 108
Block first atom: 1710
Blocpdb> 19 atoms in block 109
Block first atom: 1722
Blocpdb> 17 atoms in block 110
Block first atom: 1741
Blocpdb> 14 atoms in block 111
Block first atom: 1758
Blocpdb> 21 atoms in block 112
Block first atom: 1772
Blocpdb> 18 atoms in block 113
Block first atom: 1793
Blocpdb> 12 atoms in block 114
Block first atom: 1811
Blocpdb> 16 atoms in block 115
Block first atom: 1823
Blocpdb> 23 atoms in block 116
Block first atom: 1839
Blocpdb> 19 atoms in block 117
Block first atom: 1862
Blocpdb> 14 atoms in block 118
Block first atom: 1881
Blocpdb> 11 atoms in block 119
Block first atom: 1895
Blocpdb> 15 atoms in block 120
Block first atom: 1906
Blocpdb> 19 atoms in block 121
Block first atom: 1921
Blocpdb> 12 atoms in block 122
Block first atom: 1940
Blocpdb> 14 atoms in block 123
Block first atom: 1952
Blocpdb> 13 atoms in block 124
Block first atom: 1966
Blocpdb> 19 atoms in block 125
Block first atom: 1979
Blocpdb> 21 atoms in block 126
Block first atom: 1998
Blocpdb> 16 atoms in block 127
Block first atom: 2019
Blocpdb> 17 atoms in block 128
Block first atom: 2035
Blocpdb> 15 atoms in block 129
Block first atom: 2052
Blocpdb> 17 atoms in block 130
Block first atom: 2067
Blocpdb> 17 atoms in block 131
Block first atom: 2084
Blocpdb> 18 atoms in block 132
Block first atom: 2101
Blocpdb> 17 atoms in block 133
Block first atom: 2119
Blocpdb> 16 atoms in block 134
Block first atom: 2136
Blocpdb> 17 atoms in block 135
Block first atom: 2152
Blocpdb> 20 atoms in block 136
Block first atom: 2169
Blocpdb> 16 atoms in block 137
Block first atom: 2189
Blocpdb> 15 atoms in block 138
Block first atom: 2205
Blocpdb> 20 atoms in block 139
Block first atom: 2220
Blocpdb> 16 atoms in block 140
Block first atom: 2240
Blocpdb> 14 atoms in block 141
Block first atom: 2256
Blocpdb> 20 atoms in block 142
Block first atom: 2270
Blocpdb> 18 atoms in block 143
Block first atom: 2290
Blocpdb> 17 atoms in block 144
Block first atom: 2308
Blocpdb> 15 atoms in block 145
Block first atom: 2325
Blocpdb> 15 atoms in block 146
Block first atom: 2340
Blocpdb> 17 atoms in block 147
Block first atom: 2355
Blocpdb> 12 atoms in block 148
Block first atom: 2372
Blocpdb> 15 atoms in block 149
Block first atom: 2384
Blocpdb> 8 atoms in block 150
Block first atom: 2398
Blocpdb> 150 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 8 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> 898878 matrix lines read.
Prepmat> Matrix order = 7218
Prepmat> Matrix trace = 1965360.0000
Prepmat> Last element read: 7218 7218 175.7263
Prepmat> 11326 lines saved.
Prepmat> 9688 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: 2406
RTB> Total mass = 2406.0000
RTB> Number of atoms found in matrix: 2406
RTB> Number of blocks = 150
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 207046.3424
RTB> 56682 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 = 900
Diagstd> Nb of non-zero elements: 56682
Diagstd> Projected matrix trace = 207046.3424
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 900 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 207046.3424
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 2.9691263 3.2771310 4.1449836 4.9910524
5.3132694 6.5817415 8.0413855 8.3661911 10.0521827
10.4514861 10.7731391 11.7454127 12.0094149 12.9154920
13.4529367 13.6911239 13.9569995 16.0469274 16.7352009
17.6019614 18.2321812 19.4014008 20.0260556 20.6303024
22.3699815 23.0819227 23.5569745 24.7509046 26.0140028
27.2211822 27.9199734 28.0578718 28.8009047 29.2332674
29.9487596 31.4257674 31.7598013 32.3719964 33.2147131
33.4999687 34.2404386 34.5803638 35.7426791 36.1157651
36.5803360 37.1011470 37.6435268 38.1813747 38.9047341
39.5266928 39.9725797 40.6497465 42.0413118 42.5298907
43.1679825 44.6581060 44.7778860 44.9972700 45.6985076
46.5171560 46.9229213 48.0711907 48.2013547 48.4943107
49.1951560 49.7018304 49.9045990 50.8742883 51.2940657
52.2751945 53.3601930 53.7413264 53.9884377 54.6450885
55.2414562 56.2481339 56.8152498 57.4591115 58.1981843
59.0691865 59.8108596 59.9712590 61.0071933 62.8989698
63.0767209 63.6731602 64.5781694 65.6284389 66.4137218
67.2011557 67.8149893 68.3888193 68.8276396 69.4507726
70.1027407 70.8240901 71.5670962 72.2591568 72.4293487
72.8802614
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034327 0.0034331 0.0034336 0.0034342
0.0034343 187.1154357 196.5812916 221.0836824 242.6003072
250.3088471 278.5901083 307.9361826 314.0936604 344.2908398
351.0623884 356.4235683 372.1597673 376.3190513 390.2570496
398.2940603 401.8045316 405.6872057 435.0019709 444.2329267
455.5917099 463.6759751 478.3126033 485.9515689 493.2284020
513.6036396 521.7125346 527.0539064 540.2450770 553.8585596
566.5637336 573.7897430 575.2049882 582.7715541 587.1295785
594.2712222 608.7489511 611.9756873 617.8456911 625.8359874
628.5176542 635.4259393 638.5722758 649.2154270 652.5949219
656.7787995 661.4377052 666.2549259 670.9977452 677.3240645
682.7166890 686.5566350 692.3476160 704.0984847 708.1779717
713.4707223 725.6804616 726.6530043 728.4309047 734.0848968
740.6309519 743.8541687 752.9007333 753.9193713 756.2069694
761.6517622 765.5639451 767.1239913 774.5410746 777.7299828
785.1327781 793.2388496 796.0667242 797.8948471 802.7325010
807.1009142 814.4217057 818.5170693 823.1419466 828.4188991
834.5949934 839.8182389 840.9435878 848.1756552 861.2258293
862.4418735 866.5098082 872.6460861 879.7136225 884.9611173
890.1919266 894.2483123 898.0237719 900.9002727 904.9692466
909.2070172 913.8728649 918.6540172 923.0850662 924.1714973
927.0437731
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2406
Rtb_to_modes> Number of blocs = 150
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: 9.9899E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9928E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9953E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.969
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.277
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.145
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.991
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.313
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.582
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.041
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.366
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.05
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.45
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.77
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.75
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 12.01
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.45
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.69
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.96
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.05
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.74
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 17.60
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.23
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 19.40
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.03
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.63
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 23.08
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 23.56
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.75
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 26.01
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 27.22
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 27.92
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 28.06
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 28.80
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 29.95
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 31.43
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.76
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 32.37
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 33.21
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 33.50
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 34.24
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 35.74
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 36.12
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 36.58
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 37.10
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 37.64
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 38.18
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 38.90
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.53
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 39.97
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 40.65
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 42.04
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 42.53
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 43.17
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 44.66
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 44.78
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 45.00
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 45.70
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 46.52
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 46.92
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 48.07
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 48.20
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 48.49
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 49.20
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 49.70
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 49.90
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 50.87
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 51.29
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 52.28
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 53.36
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 53.74
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 53.99
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 54.65
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 55.24
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 56.25
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 56.82
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 57.46
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 58.20
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 59.07
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 59.81
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 59.97
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 61.01
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 62.90
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 63.08
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 63.67
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 64.58
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 65.63
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 66.41
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 67.20
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 67.81
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 68.39
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 68.83
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 69.45
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 70.10
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 70.82
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 71.57
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 72.26
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 72.43
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 72.88
Rtb_to_modes> 106 vectors, with 900 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00001 1.00003 1.00000 1.00002
1.00001 0.99996 1.00001 0.99998 1.00003
0.99997 1.00000 1.00000 1.00000 1.00003
1.00005 1.00001 1.00001 0.99996 1.00000
1.00001 1.00000 1.00000 0.99999 1.00002
1.00001 0.99999 0.99998 1.00002 0.99999
1.00001 1.00000 1.00001 0.99998 0.99998
0.99999 1.00000 0.99999 1.00001 1.00002
1.00002 0.99996 1.00003 0.99999 1.00001
1.00002 0.99999 0.99998 1.00001 0.99998
0.99999 0.99997 1.00003 1.00002 0.99999
0.99999 0.99999 1.00000 1.00000 0.99999
1.00001 0.99999 1.00002 1.00003 0.99998
0.99999 1.00001 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 1.00002 1.00001
0.99998 1.00000 0.99999 0.99999 0.99999
1.00002 1.00000 1.00000 1.00000 1.00001
1.00000 0.99998 0.99999 0.99999 0.99999
0.99998 0.99997 0.99999 0.99999 1.00001
1.00000 1.00001 0.99998 0.99999 1.00001
1.00002 0.99999 0.99998 1.00001 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 43308 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00001 1.00003 1.00000 1.00002
1.00001 0.99996 1.00001 0.99998 1.00003
0.99997 1.00000 1.00000 1.00000 1.00003
1.00005 1.00001 1.00001 0.99996 1.00000
1.00001 1.00000 1.00000 0.99999 1.00002
1.00001 0.99999 0.99998 1.00002 0.99999
1.00001 1.00000 1.00001 0.99998 0.99998
0.99999 1.00000 0.99999 1.00001 1.00002
1.00002 0.99996 1.00003 0.99999 1.00001
1.00002 0.99999 0.99998 1.00001 0.99998
0.99999 0.99997 1.00003 1.00002 0.99999
0.99999 0.99999 1.00000 1.00000 0.99999
1.00001 0.99999 1.00002 1.00003 0.99998
0.99999 1.00001 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 1.00002 1.00001
0.99998 1.00000 0.99999 0.99999 0.99999
1.00002 1.00000 1.00000 1.00000 1.00001
1.00000 0.99998 0.99999 0.99999 0.99999
0.99998 0.99997 0.99999 0.99999 1.00001
1.00000 1.00001 0.99998 0.99999 1.00001
1.00002 0.99999 0.99998 1.00001 0.99999
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> 2403190929353871101.eigenfacs
Openam> file on opening on unit 10:
2403190929353871101.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403190929353871101.atom
Openam> file on opening on unit 11:
2403190929353871101.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 = 298
First residue number = 572
Last residue number = 947
Number of atoms found = 2406
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: 9.9899E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9928E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 17.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 23.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 23.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 26.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 27.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 27.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 28.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 28.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 29.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 31.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 32.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 33.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 33.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 34.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 35.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 36.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 36.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 37.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 37.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 38.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 38.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 39.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 40.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 42.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 42.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 43.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 44.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 44.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 45.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 45.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 46.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 46.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 48.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 48.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 48.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 49.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 49.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 49.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 50.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 51.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 52.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 53.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 53.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 53.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 54.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 55.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 56.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 56.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 57.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 58.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 59.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 59.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 59.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 61.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 62.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 63.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 63.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 64.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 65.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 66.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 67.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 67.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 68.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 68.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 69.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 70.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 70.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 71.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 72.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 72.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 72.88
Bfactors> 106 vectors, 7218 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 : 2.969000
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= 0.617 for 298 C-alpha atoms.
Bfactors> = 0.025 +/- 0.03
Bfactors> = 36.452 +/- 11.70
Bfactors> Shiftng-fct= 36.427
Bfactors> Scaling-fct= 343.528
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403190929353871101 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=0
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=100
2403190929353871101.eigenfacs
2403190929353871101.atom
making animated gifs
11 models are in 2403190929353871101.7.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 2403190929353871101.7.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 2403190929353871101.7.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 2403190929353871101 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=0
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=100
2403190929353871101.eigenfacs
2403190929353871101.atom
making animated gifs
11 models are in 2403190929353871101.8.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 2403190929353871101.8.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 2403190929353871101.8.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 2403190929353871101 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=0
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=100
2403190929353871101.eigenfacs
2403190929353871101.atom
making animated gifs
11 models are in 2403190929353871101.9.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 2403190929353871101.9.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 2403190929353871101.9.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 2403190929353871101 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=0
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=100
2403190929353871101.eigenfacs
2403190929353871101.atom
making animated gifs
11 models are in 2403190929353871101.10.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 2403190929353871101.10.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 2403190929353871101.10.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 2403190929353871101 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=-20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=0
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=20
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=40
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=60
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=80
2403190929353871101.eigenfacs
2403190929353871101.atom
calculating perturbed structure for DQ=100
2403190929353871101.eigenfacs
2403190929353871101.atom
making animated gifs
11 models are in 2403190929353871101.11.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 2403190929353871101.11.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 2403190929353871101.11.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
2403190929353871101.10.pdb
2403190929353871101.11.pdb
2403190929353871101.7.pdb
2403190929353871101.8.pdb
2403190929353871101.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m12.173s
user 0m12.129s
sys 0m0.044s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2403190929353871101.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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