*** IMMUNE SYSTEM 29-AUG-07 2Z7X ***
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 = 2403131923503096993.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 2403131923503096993.atom to be opened.
Openam> File opened: 2403131923503096993.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 = 1074
First residue number = 27
Last residue number = 12
Number of atoms found = 8580
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -27.238074 +/- 17.333586 From: -80.161000 To: 3.992000
= -8.059795 +/- 27.805574 From: -64.403000 To: 52.889000
= 22.872148 +/- 17.411552 From: -16.187000 To: 67.320000
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 0.9908 % Filled.
Pdbmat> 3282237 non-zero elements.
Pdbmat> 359028 atom-atom interactions.
Pdbmat> Number per atom= 83.69 +/- 21.29
Maximum number = 128
Minimum number = 9
Pdbmat> Matrix trace = 7.180560E+06
Pdbmat> Larger element = 484.002
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1074 non-zero elements, NRBL set to 6
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 = 2403131923503096993.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2403131923503096993.atom to be opened.
Openam> file on opening on unit 11:
2403131923503096993.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8580 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1074 residues.
Blocpdb> 45 atoms in block 1
Block first atom: 1
Blocpdb> 39 atoms in block 2
Block first atom: 46
Blocpdb> 38 atoms in block 3
Block first atom: 85
Blocpdb> 39 atoms in block 4
Block first atom: 123
Blocpdb> 43 atoms in block 5
Block first atom: 162
Blocpdb> 46 atoms in block 6
Block first atom: 205
Blocpdb> 52 atoms in block 7
Block first atom: 251
Blocpdb> 50 atoms in block 8
Block first atom: 303
Blocpdb> 43 atoms in block 9
Block first atom: 353
Blocpdb> 44 atoms in block 10
Block first atom: 396
Blocpdb> 44 atoms in block 11
Block first atom: 440
Blocpdb> 46 atoms in block 12
Block first atom: 484
Blocpdb> 45 atoms in block 13
Block first atom: 530
Blocpdb> 50 atoms in block 14
Block first atom: 575
Blocpdb> 48 atoms in block 15
Block first atom: 625
Blocpdb> 53 atoms in block 16
Block first atom: 673
Blocpdb> 46 atoms in block 17
Block first atom: 726
Blocpdb> 44 atoms in block 18
Block first atom: 772
Blocpdb> 47 atoms in block 19
Block first atom: 816
Blocpdb> 47 atoms in block 20
Block first atom: 863
Blocpdb> 51 atoms in block 21
Block first atom: 910
Blocpdb> 46 atoms in block 22
Block first atom: 961
Blocpdb> 50 atoms in block 23
Block first atom: 1007
Blocpdb> 56 atoms in block 24
Block first atom: 1057
Blocpdb> 43 atoms in block 25
Block first atom: 1113
Blocpdb> 51 atoms in block 26
Block first atom: 1156
Blocpdb> 42 atoms in block 27
Block first atom: 1207
Blocpdb> 51 atoms in block 28
Block first atom: 1249
Blocpdb> 47 atoms in block 29
Block first atom: 1300
Blocpdb> 50 atoms in block 30
Block first atom: 1347
Blocpdb> 52 atoms in block 31
Block first atom: 1397
Blocpdb> 51 atoms in block 32
Block first atom: 1449
Blocpdb> 41 atoms in block 33
Block first atom: 1500
Blocpdb> 51 atoms in block 34
Block first atom: 1541
Blocpdb> 46 atoms in block 35
Block first atom: 1592
Blocpdb> 55 atoms in block 36
Block first atom: 1638
Blocpdb> 41 atoms in block 37
Block first atom: 1693
Blocpdb> 51 atoms in block 38
Block first atom: 1734
Blocpdb> 53 atoms in block 39
Block first atom: 1785
Blocpdb> 46 atoms in block 40
Block first atom: 1838
Blocpdb> 52 atoms in block 41
Block first atom: 1884
Blocpdb> 43 atoms in block 42
Block first atom: 1936
Blocpdb> 53 atoms in block 43
Block first atom: 1979
Blocpdb> 45 atoms in block 44
Block first atom: 2032
Blocpdb> 45 atoms in block 45
Block first atom: 2077
Blocpdb> 46 atoms in block 46
Block first atom: 2122
Blocpdb> 43 atoms in block 47
Block first atom: 2168
Blocpdb> 46 atoms in block 48
Block first atom: 2211
Blocpdb> 55 atoms in block 49
Block first atom: 2257
Blocpdb> 65 atoms in block 50
Block first atom: 2312
Blocpdb> 49 atoms in block 51
Block first atom: 2377
Blocpdb> 48 atoms in block 52
Block first atom: 2426
Blocpdb> 51 atoms in block 53
Block first atom: 2474
Blocpdb> 49 atoms in block 54
Block first atom: 2525
Blocpdb> 42 atoms in block 55
Block first atom: 2574
Blocpdb> 50 atoms in block 56
Block first atom: 2616
Blocpdb> 51 atoms in block 57
Block first atom: 2666
Blocpdb> 49 atoms in block 58
Block first atom: 2717
Blocpdb> 52 atoms in block 59
Block first atom: 2766
Blocpdb> 47 atoms in block 60
Block first atom: 2818
Blocpdb> 45 atoms in block 61
Block first atom: 2865
Blocpdb> 54 atoms in block 62
Block first atom: 2910
Blocpdb> 45 atoms in block 63
Block first atom: 2964
Blocpdb> 43 atoms in block 64
Block first atom: 3009
Blocpdb> 47 atoms in block 65
Block first atom: 3052
Blocpdb> 47 atoms in block 66
Block first atom: 3099
Blocpdb> 49 atoms in block 67
Block first atom: 3146
Blocpdb> 52 atoms in block 68
Block first atom: 3195
Blocpdb> 54 atoms in block 69
Block first atom: 3247
Blocpdb> 43 atoms in block 70
Block first atom: 3301
Blocpdb> 49 atoms in block 71
Block first atom: 3344
Blocpdb> 41 atoms in block 72
Block first atom: 3393
Blocpdb> 48 atoms in block 73
Block first atom: 3434
Blocpdb> 46 atoms in block 74
Block first atom: 3482
Blocpdb> 49 atoms in block 75
Block first atom: 3528
Blocpdb> 50 atoms in block 76
Block first atom: 3577
Blocpdb> 54 atoms in block 77
Block first atom: 3627
Blocpdb> 46 atoms in block 78
Block first atom: 3681
Blocpdb> 42 atoms in block 79
Block first atom: 3727
Blocpdb> 48 atoms in block 80
Block first atom: 3769
Blocpdb> 51 atoms in block 81
Block first atom: 3817
Blocpdb> 40 atoms in block 82
Block first atom: 3868
Blocpdb> 51 atoms in block 83
Block first atom: 3908
Blocpdb> 56 atoms in block 84
Block first atom: 3959
Blocpdb> 54 atoms in block 85
Block first atom: 4015
Blocpdb> 44 atoms in block 86
Block first atom: 4069
Blocpdb> 59 atoms in block 87
Block first atom: 4113
Blocpdb> 48 atoms in block 88
Block first atom: 4172
Blocpdb> 42 atoms in block 89
Block first atom: 4220
Blocpdb> 35 atoms in block 90
Block first atom: 4262
Blocpdb> 48 atoms in block 91
Block first atom: 4297
Blocpdb> 22 atoms in block 92
Block first atom: 4345
Blocpdb> 49 atoms in block 93
Block first atom: 4367
Blocpdb> 46 atoms in block 94
Block first atom: 4416
Blocpdb> 49 atoms in block 95
Block first atom: 4462
Blocpdb> 46 atoms in block 96
Block first atom: 4511
Blocpdb> 47 atoms in block 97
Block first atom: 4557
Blocpdb> 51 atoms in block 98
Block first atom: 4604
Blocpdb> 51 atoms in block 99
Block first atom: 4655
Blocpdb> 48 atoms in block 100
Block first atom: 4706
Blocpdb> 48 atoms in block 101
Block first atom: 4754
Blocpdb> 56 atoms in block 102
Block first atom: 4802
Blocpdb> 49 atoms in block 103
Block first atom: 4858
Blocpdb> 54 atoms in block 104
Block first atom: 4907
Blocpdb> 52 atoms in block 105
Block first atom: 4961
Blocpdb> 49 atoms in block 106
Block first atom: 5013
Blocpdb> 43 atoms in block 107
Block first atom: 5062
Blocpdb> 51 atoms in block 108
Block first atom: 5105
Blocpdb> 49 atoms in block 109
Block first atom: 5156
Blocpdb> 42 atoms in block 110
Block first atom: 5205
Blocpdb> 49 atoms in block 111
Block first atom: 5247
Blocpdb> 51 atoms in block 112
Block first atom: 5296
Blocpdb> 42 atoms in block 113
Block first atom: 5347
Blocpdb> 45 atoms in block 114
Block first atom: 5389
Blocpdb> 46 atoms in block 115
Block first atom: 5434
Blocpdb> 46 atoms in block 116
Block first atom: 5480
Blocpdb> 43 atoms in block 117
Block first atom: 5526
Blocpdb> 51 atoms in block 118
Block first atom: 5569
Blocpdb> 45 atoms in block 119
Block first atom: 5620
Blocpdb> 49 atoms in block 120
Block first atom: 5665
Blocpdb> 50 atoms in block 121
Block first atom: 5714
Blocpdb> 58 atoms in block 122
Block first atom: 5764
Blocpdb> 44 atoms in block 123
Block first atom: 5822
Blocpdb> 44 atoms in block 124
Block first atom: 5866
Blocpdb> 48 atoms in block 125
Block first atom: 5910
Blocpdb> 46 atoms in block 126
Block first atom: 5958
Blocpdb> 52 atoms in block 127
Block first atom: 6004
Blocpdb> 44 atoms in block 128
Block first atom: 6056
Blocpdb> 48 atoms in block 129
Block first atom: 6100
Blocpdb> 45 atoms in block 130
Block first atom: 6148
Blocpdb> 53 atoms in block 131
Block first atom: 6193
Blocpdb> 52 atoms in block 132
Block first atom: 6246
Blocpdb> 56 atoms in block 133
Block first atom: 6298
Blocpdb> 58 atoms in block 134
Block first atom: 6354
Blocpdb> 44 atoms in block 135
Block first atom: 6412
Blocpdb> 46 atoms in block 136
Block first atom: 6456
Blocpdb> 61 atoms in block 137
Block first atom: 6502
Blocpdb> 40 atoms in block 138
Block first atom: 6563
Blocpdb> 46 atoms in block 139
Block first atom: 6603
Blocpdb> 46 atoms in block 140
Block first atom: 6649
Blocpdb> 49 atoms in block 141
Block first atom: 6695
Blocpdb> 54 atoms in block 142
Block first atom: 6744
Blocpdb> 49 atoms in block 143
Block first atom: 6798
Blocpdb> 42 atoms in block 144
Block first atom: 6847
Blocpdb> 52 atoms in block 145
Block first atom: 6889
Blocpdb> 42 atoms in block 146
Block first atom: 6941
Blocpdb> 52 atoms in block 147
Block first atom: 6983
Blocpdb> 49 atoms in block 148
Block first atom: 7035
Blocpdb> 49 atoms in block 149
Block first atom: 7084
Blocpdb> 43 atoms in block 150
Block first atom: 7133
Blocpdb> 49 atoms in block 151
Block first atom: 7176
Blocpdb> 50 atoms in block 152
Block first atom: 7225
Blocpdb> 49 atoms in block 153
Block first atom: 7275
Blocpdb> 45 atoms in block 154
Block first atom: 7324
Blocpdb> 49 atoms in block 155
Block first atom: 7369
Blocpdb> 47 atoms in block 156
Block first atom: 7418
Blocpdb> 48 atoms in block 157
Block first atom: 7465
Blocpdb> 42 atoms in block 158
Block first atom: 7513
Blocpdb> 52 atoms in block 159
Block first atom: 7555
Blocpdb> 42 atoms in block 160
Block first atom: 7607
Blocpdb> 46 atoms in block 161
Block first atom: 7649
Blocpdb> 51 atoms in block 162
Block first atom: 7695
Blocpdb> 50 atoms in block 163
Block first atom: 7746
Blocpdb> 49 atoms in block 164
Block first atom: 7796
Blocpdb> 47 atoms in block 165
Block first atom: 7845
Blocpdb> 49 atoms in block 166
Block first atom: 7892
Blocpdb> 47 atoms in block 167
Block first atom: 7941
Blocpdb> 43 atoms in block 168
Block first atom: 7988
Blocpdb> 41 atoms in block 169
Block first atom: 8031
Blocpdb> 53 atoms in block 170
Block first atom: 8072
Blocpdb> 54 atoms in block 171
Block first atom: 8125
Blocpdb> 54 atoms in block 172
Block first atom: 8179
Blocpdb> 44 atoms in block 173
Block first atom: 8233
Blocpdb> 53 atoms in block 174
Block first atom: 8277
Blocpdb> 53 atoms in block 175
Block first atom: 8330
Blocpdb> 46 atoms in block 176
Block first atom: 8383
Blocpdb> 36 atoms in block 177
Block first atom: 8429
Blocpdb> 44 atoms in block 178
Block first atom: 8465
Blocpdb> 30 atoms in block 179
Block first atom: 8509
Blocpdb> 42 atoms in block 180
Block first atom: 8538
Blocpdb> 180 blocks.
Blocpdb> At most, 65 atoms in each of them.
Blocpdb> At least, 22 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> 3282417 matrix lines read.
Prepmat> Matrix order = 25740
Prepmat> Matrix trace = 7180560.0000
Prepmat> Last element read: 25740 25740 62.2976
Prepmat> 16291 lines saved.
Prepmat> 14919 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: 8580
RTB> Total mass = 8580.0000
RTB> Number of atoms found in matrix: 8580
RTB> Number of blocks = 180
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 204700.1570
RTB> 46656 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 = 1080
Diagstd> Nb of non-zero elements: 46656
Diagstd> Projected matrix trace = 204700.1570
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1080 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 204700.1570
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 0.0793758 0.1143386 0.1237584 0.1558471
0.2475200 0.3267555 0.4998543 0.5678497 0.6040738
1.0005773 1.1045724 1.4874952 1.7917176 2.0770062
2.3787522 2.5067192 2.9953563 4.2143612 4.2496419
4.6197189 5.3145772 5.9937411 6.1029718 6.5369762
7.0833918 7.3571150 8.2036226 8.9037792 9.7812705
10.1147381 10.7637817 10.9314559 11.2203470 12.1499835
13.3184149 13.8173550 14.5997906 15.1627955 15.8630438
16.5476459 17.2395717 17.5868874 18.1511875 19.2235768
19.5253800 20.3593347 20.6294217 21.6736131 22.1858204
22.5587789 23.2810197 23.4485907 24.1957163 24.6373001
25.2413703 25.3389148 25.9729638 27.0636700 27.5225434
28.4346117 29.0782582 29.2992471 29.8044286 30.0349618
30.6413732 30.7483131 31.3564236 32.0433773 32.4726633
33.6440707 33.9953011 34.2681900 34.9481893 35.6570776
35.8446122 36.2715521 37.2853336 38.0441637 38.2789462
38.4629895 38.7297011 39.2660012 40.2775093 40.6605029
41.0872638 41.8520185 42.1754747 42.3847157 42.8176122
43.9515977 44.1397636 44.3826840 44.9144935 45.2668770
45.8605995 46.1285690 46.4177993 47.1680542 47.3022303
48.0741578
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034333 0.0034336 0.0034340 0.0034341
0.0034352 30.5942073 36.7190710 38.2016930 42.8691230
54.0256992 62.0735690 76.7744976 81.8298904 84.3995769
108.6227015 114.1280446 132.4411871 145.3550280 156.4999407
167.4826739 171.9286002 187.9401312 222.9262219 223.8573968
233.4011849 250.3396500 265.8546552 268.2662030 277.6410849
289.0120240 294.5432344 311.0270172 324.0279488 339.6197322
345.3604500 356.2687418 359.0329307 363.7461657 378.5150257
396.2976982 403.6525851 414.9240355 422.8486215 432.5024207
441.7366055 450.8774508 455.3965870 462.6449236 476.1155639
479.8384299 489.9785537 493.2178739 505.5463028 511.4851465
515.7664325 523.9577636 525.8400417 534.1515853 539.0038129
545.5715867 546.6247427 553.4215108 564.9221777 569.6912685
579.0538201 585.5708841 587.7917834 592.8375175 595.1258598
601.1036876 602.1517149 608.0769503 614.7017110 618.8056000
629.8680053 633.1472518 635.6833899 641.9594854 648.4375461
650.1405035 654.0009064 663.0775084 669.7909900 671.8545567
673.4677422 675.7987011 680.4615937 689.1703484 692.4392114
696.0635476 702.5115754 705.2210547 706.9682618 710.5694026
719.9173061 721.4567175 723.4392400 727.7605893 730.6098902
735.3856383 737.5309866 739.8395664 745.7946449 746.8546502
752.9239683
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8580
Rtb_to_modes> Number of blocs = 180
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: 9.9940E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.9376E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1143
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1238
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1558
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2475
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.3268
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.4999
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.5678
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.6041
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.001
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.105
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.487
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.792
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.077
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.379
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.507
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.995
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.214
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 4.250
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.620
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.315
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.994
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.103
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 6.537
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.083
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.357
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.204
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.904
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 9.781
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.11
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 10.76
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 10.93
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 11.22
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 12.15
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 13.32
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 13.82
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 14.60
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 15.86
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 16.55
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 17.24
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 17.59
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 18.15
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 19.22
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 19.53
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 20.36
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 20.63
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 21.67
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 22.19
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 22.56
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 23.28
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 24.20
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 24.64
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 25.24
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 25.34
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 25.97
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 27.06
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 27.52
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 28.43
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 29.08
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 29.30
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 29.80
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 30.03
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 30.64
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 30.75
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 31.36
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 32.04
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 32.47
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 33.64
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 34.00
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 34.27
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 34.95
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.66
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 35.84
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 36.27
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 37.29
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 38.04
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 38.28
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 38.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 38.73
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 39.27
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 40.28
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 40.66
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 41.09
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 41.85
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 42.18
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 42.38
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 42.82
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 43.95
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 44.14
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 44.38
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 44.91
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 45.27
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 45.86
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 46.13
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 46.42
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 47.17
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 47.30
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 48.07
Rtb_to_modes> 106 vectors, with 1080 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 0.99999 1.00000 1.00001
1.00000 1.00003 1.00001 0.99997 1.00002
1.00000 1.00001 1.00001 1.00000 0.99999
0.99999 1.00002 1.00003 1.00002 1.00002
0.99999 0.99999 1.00001 1.00000 0.99997
0.99998 1.00001 1.00001 1.00000 1.00002
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 1.00000 1.00000 1.00000 0.99999
1.00002 1.00001 1.00000 1.00001 0.99999
1.00000 0.99999 1.00001 0.99999 1.00000
0.99999 0.99999 0.99999 1.00002 1.00001
0.99999 0.99999 1.00001 1.00001 0.99999
1.00001 1.00003 1.00002 1.00000 1.00002
0.99999 1.00001 1.00000 0.99998 0.99998
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 1.00001 0.99999 0.99999 0.99999
1.00001 0.99999 0.99999 0.99999 0.99999
1.00000 1.00002 1.00001 0.99998 1.00000
1.00000 0.99999 1.00002 1.00000 1.00000
1.00000 0.99999 0.99996 1.00001 0.99998
0.99999 1.00000 0.99999 1.00003 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 154440 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 0.99999 1.00000 1.00001
1.00000 1.00003 1.00001 0.99997 1.00002
1.00000 1.00001 1.00001 1.00000 0.99999
0.99999 1.00002 1.00003 1.00002 1.00002
0.99999 0.99999 1.00001 1.00000 0.99997
0.99998 1.00001 1.00001 1.00000 1.00002
0.99999 1.00000 1.00000 1.00000 0.99999
1.00000 1.00000 1.00000 1.00000 0.99999
1.00002 1.00001 1.00000 1.00001 0.99999
1.00000 0.99999 1.00001 0.99999 1.00000
0.99999 0.99999 0.99999 1.00002 1.00001
0.99999 0.99999 1.00001 1.00001 0.99999
1.00001 1.00003 1.00002 1.00000 1.00002
0.99999 1.00001 1.00000 0.99998 0.99998
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 1.00001 0.99999 0.99999 0.99999
1.00001 0.99999 0.99999 0.99999 0.99999
1.00000 1.00002 1.00001 0.99998 1.00000
1.00000 0.99999 1.00002 1.00000 1.00000
1.00000 0.99999 0.99996 1.00001 0.99998
0.99999 1.00000 0.99999 1.00003 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> 2403131923503096993.eigenfacs
Openam> file on opening on unit 10:
2403131923503096993.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403131923503096993.atom
Openam> file on opening on unit 11:
2403131923503096993.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 = 1074
First residue number = 27
Last residue number = 12
Number of atoms found = 8580
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
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: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.9376E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2475
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.001
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 4.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 6.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 10.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 10.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 11.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 12.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 13.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 13.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 14.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 15.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 19.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 19.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 20.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 22.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 23.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 24.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 24.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 25.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 25.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 25.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 27.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 27.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 28.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 29.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 29.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 29.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 30.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 30.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 30.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 31.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 32.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 32.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 33.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 34.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 34.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 34.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 35.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 36.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 37.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 38.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 38.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 38.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 38.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 39.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 40.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 40.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 41.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 41.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 42.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 42.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 42.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 43.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 44.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 44.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 44.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 45.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 45.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 46.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 46.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 47.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 47.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 48.07
Bfactors> 106 vectors, 25740 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 : 0.079376
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= 0.535 for 1074 C-alpha atoms.
Bfactors> = 0.105 +/- 0.10
Bfactors> = 53.959 +/- 31.27
Bfactors> Shiftng-fct= 53.853
Bfactors> Scaling-fct= 307.470
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403131923503096993 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=0
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=100
2403131923503096993.eigenfacs
2403131923503096993.atom
making animated gifs
11 models are in 2403131923503096993.7.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 2403131923503096993.7.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 2403131923503096993.7.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 2403131923503096993 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=0
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=100
2403131923503096993.eigenfacs
2403131923503096993.atom
making animated gifs
11 models are in 2403131923503096993.8.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 2403131923503096993.8.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 2403131923503096993.8.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 2403131923503096993 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=0
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=100
2403131923503096993.eigenfacs
2403131923503096993.atom
making animated gifs
11 models are in 2403131923503096993.9.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 2403131923503096993.9.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 2403131923503096993.9.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 2403131923503096993 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=0
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=100
2403131923503096993.eigenfacs
2403131923503096993.atom
making animated gifs
11 models are in 2403131923503096993.10.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 2403131923503096993.10.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 2403131923503096993.10.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 2403131923503096993 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=-20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=0
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=20
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=40
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=60
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=80
2403131923503096993.eigenfacs
2403131923503096993.atom
calculating perturbed structure for DQ=100
2403131923503096993.eigenfacs
2403131923503096993.atom
making animated gifs
11 models are in 2403131923503096993.11.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 2403131923503096993.11.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 2403131923503096993.11.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
2403131923503096993.10.pdb
2403131923503096993.11.pdb
2403131923503096993.7.pdb
2403131923503096993.8.pdb
2403131923503096993.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m41.076s
user 0m40.919s
sys 0m0.132s
../../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: 2403131923503096993.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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