*** IMMUNE SYSTEM 22-JUL-07 2Z64 ***
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 = 2404022139232096680.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 2404022139232096680.atom to be opened.
Openam> File opened: 2404022139232096680.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 = 734
First residue number = 27
Last residue number = 155
Number of atoms found = 5867
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -18.660585 +/- 22.461315 From: -55.374000 To: 31.544000
= -1.913912 +/- 15.390047 From: -37.021000 To: 32.829000
= 2.755455 +/- 14.771588 From: -29.180000 To: 36.570000
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 1.4233 % Filled.
Pdbmat> 2204766 non-zero elements.
Pdbmat> 241116 atom-atom interactions.
Pdbmat> Number per atom= 82.19 +/- 20.63
Maximum number = 124
Minimum number = 11
Pdbmat> Matrix trace = 4.822320E+06
Pdbmat> Larger element = 469.048
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
734 non-zero elements, NRBL set to 4
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 = 2404022139232096680.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2404022139232096680.atom to be opened.
Openam> file on opening on unit 11:
2404022139232096680.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5867 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 734 residues.
Blocpdb> 30 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 31
Blocpdb> 36 atoms in block 3
Block first atom: 60
Blocpdb> 31 atoms in block 4
Block first atom: 96
Blocpdb> 32 atoms in block 5
Block first atom: 127
Blocpdb> 30 atoms in block 6
Block first atom: 159
Blocpdb> 27 atoms in block 7
Block first atom: 189
Blocpdb> 32 atoms in block 8
Block first atom: 216
Blocpdb> 33 atoms in block 9
Block first atom: 248
Blocpdb> 32 atoms in block 10
Block first atom: 281
Blocpdb> 31 atoms in block 11
Block first atom: 313
Blocpdb> 35 atoms in block 12
Block first atom: 344
Blocpdb> 34 atoms in block 13
Block first atom: 379
Blocpdb> 39 atoms in block 14
Block first atom: 413
Blocpdb> 33 atoms in block 15
Block first atom: 452
Blocpdb> 32 atoms in block 16
Block first atom: 485
Blocpdb> 32 atoms in block 17
Block first atom: 517
Blocpdb> 38 atoms in block 18
Block first atom: 549
Blocpdb> 32 atoms in block 19
Block first atom: 587
Blocpdb> 30 atoms in block 20
Block first atom: 619
Blocpdb> 27 atoms in block 21
Block first atom: 649
Blocpdb> 32 atoms in block 22
Block first atom: 676
Blocpdb> 30 atoms in block 23
Block first atom: 708
Blocpdb> 27 atoms in block 24
Block first atom: 738
Blocpdb> 25 atoms in block 25
Block first atom: 765
Blocpdb> 33 atoms in block 26
Block first atom: 790
Blocpdb> 28 atoms in block 27
Block first atom: 823
Blocpdb> 29 atoms in block 28
Block first atom: 851
Blocpdb> 29 atoms in block 29
Block first atom: 880
Blocpdb> 30 atoms in block 30
Block first atom: 909
Blocpdb> 32 atoms in block 31
Block first atom: 939
Blocpdb> 34 atoms in block 32
Block first atom: 971
Blocpdb> 30 atoms in block 33
Block first atom: 1005
Blocpdb> 37 atoms in block 34
Block first atom: 1035
Blocpdb> 29 atoms in block 35
Block first atom: 1072
Blocpdb> 35 atoms in block 36
Block first atom: 1101
Blocpdb> 29 atoms in block 37
Block first atom: 1136
Blocpdb> 33 atoms in block 38
Block first atom: 1165
Blocpdb> 29 atoms in block 39
Block first atom: 1198
Blocpdb> 40 atoms in block 40
Block first atom: 1227
Blocpdb> 31 atoms in block 41
Block first atom: 1267
Blocpdb> 31 atoms in block 42
Block first atom: 1298
Blocpdb> 39 atoms in block 43
Block first atom: 1329
Blocpdb> 33 atoms in block 44
Block first atom: 1368
Blocpdb> 29 atoms in block 45
Block first atom: 1401
Blocpdb> 30 atoms in block 46
Block first atom: 1430
Blocpdb> 31 atoms in block 47
Block first atom: 1460
Blocpdb> 36 atoms in block 48
Block first atom: 1491
Blocpdb> 33 atoms in block 49
Block first atom: 1527
Blocpdb> 30 atoms in block 50
Block first atom: 1560
Blocpdb> 35 atoms in block 51
Block first atom: 1590
Blocpdb> 30 atoms in block 52
Block first atom: 1625
Blocpdb> 33 atoms in block 53
Block first atom: 1655
Blocpdb> 30 atoms in block 54
Block first atom: 1688
Blocpdb> 30 atoms in block 55
Block first atom: 1718
Blocpdb> 30 atoms in block 56
Block first atom: 1748
Blocpdb> 29 atoms in block 57
Block first atom: 1778
Blocpdb> 37 atoms in block 58
Block first atom: 1807
Blocpdb> 32 atoms in block 59
Block first atom: 1844
Blocpdb> 37 atoms in block 60
Block first atom: 1876
Blocpdb> 33 atoms in block 61
Block first atom: 1913
Blocpdb> 33 atoms in block 62
Block first atom: 1946
Blocpdb> 29 atoms in block 63
Block first atom: 1979
Blocpdb> 29 atoms in block 64
Block first atom: 2008
Blocpdb> 32 atoms in block 65
Block first atom: 2037
Blocpdb> 37 atoms in block 66
Block first atom: 2069
Blocpdb> 35 atoms in block 67
Block first atom: 2106
Blocpdb> 33 atoms in block 68
Block first atom: 2141
Blocpdb> 35 atoms in block 69
Block first atom: 2174
Blocpdb> 29 atoms in block 70
Block first atom: 2209
Blocpdb> 26 atoms in block 71
Block first atom: 2238
Blocpdb> 27 atoms in block 72
Block first atom: 2264
Blocpdb> 25 atoms in block 73
Block first atom: 2291
Blocpdb> 38 atoms in block 74
Block first atom: 2316
Blocpdb> 31 atoms in block 75
Block first atom: 2354
Blocpdb> 44 atoms in block 76
Block first atom: 2385
Blocpdb> 29 atoms in block 77
Block first atom: 2429
Blocpdb> 33 atoms in block 78
Block first atom: 2458
Blocpdb> 35 atoms in block 79
Block first atom: 2491
Blocpdb> 33 atoms in block 80
Block first atom: 2526
Blocpdb> 34 atoms in block 81
Block first atom: 2559
Blocpdb> 31 atoms in block 82
Block first atom: 2593
Blocpdb> 30 atoms in block 83
Block first atom: 2624
Blocpdb> 27 atoms in block 84
Block first atom: 2654
Blocpdb> 34 atoms in block 85
Block first atom: 2681
Blocpdb> 29 atoms in block 86
Block first atom: 2715
Blocpdb> 27 atoms in block 87
Block first atom: 2744
Blocpdb> 36 atoms in block 88
Block first atom: 2771
Blocpdb> 30 atoms in block 89
Block first atom: 2807
Blocpdb> 31 atoms in block 90
Block first atom: 2837
Blocpdb> 22 atoms in block 91
Block first atom: 2868
Blocpdb> 34 atoms in block 92
Block first atom: 2890
Blocpdb> 25 atoms in block 93
Block first atom: 2924
Blocpdb> 37 atoms in block 94
Block first atom: 2949
Blocpdb> 33 atoms in block 95
Block first atom: 2986
Blocpdb> 25 atoms in block 96
Block first atom: 3019
Blocpdb> 27 atoms in block 97
Block first atom: 3044
Blocpdb> 31 atoms in block 98
Block first atom: 3071
Blocpdb> 34 atoms in block 99
Block first atom: 3102
Blocpdb> 35 atoms in block 100
Block first atom: 3136
Blocpdb> 36 atoms in block 101
Block first atom: 3171
Blocpdb> 35 atoms in block 102
Block first atom: 3207
Blocpdb> 34 atoms in block 103
Block first atom: 3242
Blocpdb> 30 atoms in block 104
Block first atom: 3276
Blocpdb> 32 atoms in block 105
Block first atom: 3306
Blocpdb> 36 atoms in block 106
Block first atom: 3338
Blocpdb> 34 atoms in block 107
Block first atom: 3374
Blocpdb> 31 atoms in block 108
Block first atom: 3408
Blocpdb> 35 atoms in block 109
Block first atom: 3439
Blocpdb> 31 atoms in block 110
Block first atom: 3474
Blocpdb> 25 atoms in block 111
Block first atom: 3505
Blocpdb> 31 atoms in block 112
Block first atom: 3530
Blocpdb> 26 atoms in block 113
Block first atom: 3561
Blocpdb> 34 atoms in block 114
Block first atom: 3587
Blocpdb> 31 atoms in block 115
Block first atom: 3621
Blocpdb> 32 atoms in block 116
Block first atom: 3652
Blocpdb> 27 atoms in block 117
Block first atom: 3684
Blocpdb> 34 atoms in block 118
Block first atom: 3711
Blocpdb> 30 atoms in block 119
Block first atom: 3745
Blocpdb> 32 atoms in block 120
Block first atom: 3775
Blocpdb> 32 atoms in block 121
Block first atom: 3807
Blocpdb> 36 atoms in block 122
Block first atom: 3839
Blocpdb> 33 atoms in block 123
Block first atom: 3875
Blocpdb> 36 atoms in block 124
Block first atom: 3908
Blocpdb> 30 atoms in block 125
Block first atom: 3944
Blocpdb> 34 atoms in block 126
Block first atom: 3974
Blocpdb> 35 atoms in block 127
Block first atom: 4008
Blocpdb> 34 atoms in block 128
Block first atom: 4043
Blocpdb> 37 atoms in block 129
Block first atom: 4077
Blocpdb> 27 atoms in block 130
Block first atom: 4114
Blocpdb> 28 atoms in block 131
Block first atom: 4141
Blocpdb> 38 atoms in block 132
Block first atom: 4169
Blocpdb> 31 atoms in block 133
Block first atom: 4207
Blocpdb> 29 atoms in block 134
Block first atom: 4238
Blocpdb> 37 atoms in block 135
Block first atom: 4267
Blocpdb> 30 atoms in block 136
Block first atom: 4304
Blocpdb> 34 atoms in block 137
Block first atom: 4334
Blocpdb> 29 atoms in block 138
Block first atom: 4368
Blocpdb> 25 atoms in block 139
Block first atom: 4397
Blocpdb> 37 atoms in block 140
Block first atom: 4422
Blocpdb> 42 atoms in block 141
Block first atom: 4459
Blocpdb> 34 atoms in block 142
Block first atom: 4501
Blocpdb> 37 atoms in block 143
Block first atom: 4535
Blocpdb> 31 atoms in block 144
Block first atom: 4572
Blocpdb> 30 atoms in block 145
Block first atom: 4603
Blocpdb> 26 atoms in block 146
Block first atom: 4633
Blocpdb> 32 atoms in block 147
Block first atom: 4659
Blocpdb> 29 atoms in block 148
Block first atom: 4691
Blocpdb> 35 atoms in block 149
Block first atom: 4720
Blocpdb> 20 atoms in block 150
Block first atom: 4755
Blocpdb> 43 atoms in block 151
Block first atom: 4775
Blocpdb> 26 atoms in block 152
Block first atom: 4818
Blocpdb> 29 atoms in block 153
Block first atom: 4844
Blocpdb> 36 atoms in block 154
Block first atom: 4873
Blocpdb> 32 atoms in block 155
Block first atom: 4909
Blocpdb> 35 atoms in block 156
Block first atom: 4941
Blocpdb> 26 atoms in block 157
Block first atom: 4976
Blocpdb> 30 atoms in block 158
Block first atom: 5002
Blocpdb> 34 atoms in block 159
Block first atom: 5032
Blocpdb> 30 atoms in block 160
Block first atom: 5066
Blocpdb> 33 atoms in block 161
Block first atom: 5096
Blocpdb> 37 atoms in block 162
Block first atom: 5129
Blocpdb> 29 atoms in block 163
Block first atom: 5166
Blocpdb> 43 atoms in block 164
Block first atom: 5195
Blocpdb> 35 atoms in block 165
Block first atom: 5238
Blocpdb> 27 atoms in block 166
Block first atom: 5273
Blocpdb> 32 atoms in block 167
Block first atom: 5300
Blocpdb> 38 atoms in block 168
Block first atom: 5332
Blocpdb> 31 atoms in block 169
Block first atom: 5370
Blocpdb> 30 atoms in block 170
Block first atom: 5401
Blocpdb> 37 atoms in block 171
Block first atom: 5431
Blocpdb> 30 atoms in block 172
Block first atom: 5468
Blocpdb> 29 atoms in block 173
Block first atom: 5498
Blocpdb> 28 atoms in block 174
Block first atom: 5527
Blocpdb> 32 atoms in block 175
Block first atom: 5555
Blocpdb> 32 atoms in block 176
Block first atom: 5587
Blocpdb> 35 atoms in block 177
Block first atom: 5619
Blocpdb> 37 atoms in block 178
Block first atom: 5654
Blocpdb> 27 atoms in block 179
Block first atom: 5691
Blocpdb> 22 atoms in block 180
Block first atom: 5718
Blocpdb> 33 atoms in block 181
Block first atom: 5740
Blocpdb> 34 atoms in block 182
Block first atom: 5773
Blocpdb> 34 atoms in block 183
Block first atom: 5807
Blocpdb> 27 atoms in block 184
Block first atom: 5840
Blocpdb> 184 blocks.
Blocpdb> At most, 44 atoms in each of them.
Blocpdb> At least, 20 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> 2204950 matrix lines read.
Prepmat> Matrix order = 17601
Prepmat> Matrix trace = 4822320.0000
Prepmat> Last element read: 17601 17601 188.1138
Prepmat> 17021 lines saved.
Prepmat> 15435 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: 5867
RTB> Total mass = 5867.0000
RTB> Number of atoms found in matrix: 5867
RTB> Number of blocks = 184
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 224421.0613
RTB> 54300 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 = 1104
Diagstd> Nb of non-zero elements: 54300
Diagstd> Projected matrix trace = 224421.0613
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1104 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 224421.0613
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 0.0729005 0.1115028 0.3083261 0.5781178
0.8091616 1.1940969 1.5332893 1.7108336 2.4013530
3.1735852 3.8899103 4.1806933 4.5780027 5.4178053
5.5750511 5.8772408 7.1320214 7.3495770 7.7673489
8.0939068 8.3869529 8.7701448 9.6817167 10.4356616
11.2032304 11.3768751 11.9010576 12.3834048 13.6731483
13.7528129 15.2216806 15.8937764 17.4564300 17.8960592
17.9180420 18.8289999 19.1535077 19.7185074 20.2455469
20.7962925 21.5661821 22.6845811 22.9545656 23.7127834
24.2712645 24.6898695 25.3467731 25.8094879 26.8469483
26.9616118 27.5492021 28.8432172 29.0056344 30.1035814
30.3490670 30.5528021 31.1202165 31.6101821 32.2666610
33.0226931 33.2825970 34.0830475 34.3641349 34.7069920
35.7603745 36.2352889 36.8223915 37.1100724 37.5817278
38.1986789 38.4830376 38.5979116 39.1604740 39.4221368
39.6811155 40.2838928 41.1024666 41.7690213 42.1835811
42.6001688 42.7734333 43.2688734 44.0809119 44.4245136
44.5814717 44.8240177 45.2824654 45.5764580 45.8492357
46.2117815 46.6170642 47.2839485 47.5624805 47.7669587
48.1575275 48.3601621 48.6393929 48.8966287 49.4008650
49.8545658
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034331 0.0034333 0.0034337 0.0034343
0.0034354 29.3197685 36.2608657 60.2976545 82.5664166
97.6816307 118.6629276 134.4644032 142.0362380 168.2764271
193.4507264 214.1731733 222.0339752 232.3449855 252.7592029
256.4009942 263.2582709 290.0024049 294.3923045 302.6437349
308.9401694 314.4831508 321.5871316 337.8869869 350.7965185
363.4686136 366.2745769 374.6174986 382.1336794 401.5406730
402.7087326 423.6688982 432.9211757 453.7044051 459.3820107
459.6640670 471.2039331 475.2470624 482.2056546 488.6073967
495.2086690 504.2918090 517.2025559 520.2712405 528.7940344
534.9848478 539.5785508 546.7094975 551.6771217 562.6557268
563.8560002 569.9671071 583.1994832 584.8391870 595.8053021
598.2296749 600.2342927 605.7823075 610.5324881 616.8396657
624.0243324 626.4751999 633.9638442 636.5726686 639.7403862
649.3761131 653.6738991 658.9482001 661.5172612 665.7078097
671.1497799 673.6432347 674.6479172 679.5466101 681.8131300
684.0490069 689.2249591 696.1923113 701.8146504 705.2888255
708.7628413 710.2027276 714.3039863 720.9755971 723.7800716
725.0575526 727.0272194 730.7356779 733.1039603 735.2945218
738.1959121 741.4258779 746.7103109 748.9063764 750.5144801
753.5765422 755.1603065 757.3373106 759.3373084 763.2425202
766.7393445
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5867
Rtb_to_modes> Number of blocs = 184
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: 9.9840E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9959E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 7.2901E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1115
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3083
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5781
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.8092
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.194
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.533
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.711
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.401
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.174
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.890
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.181
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.578
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.418
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.575
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.877
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 7.132
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.350
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.767
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.094
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 8.387
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 8.770
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 9.682
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 10.44
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 11.90
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 12.38
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 13.67
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 13.75
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 15.22
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 15.89
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 17.46
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 17.90
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 17.92
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 18.83
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 19.15
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 19.72
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 20.25
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 20.80
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 22.68
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 22.95
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 23.71
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 24.27
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 24.69
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 25.35
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 25.81
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 26.85
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 26.96
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.55
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 28.84
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 29.01
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 30.10
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 30.35
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 30.55
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 31.12
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 31.61
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 32.27
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 33.02
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 33.28
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 34.08
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 34.36
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 34.71
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 35.76
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 36.24
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 36.82
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 37.11
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 37.58
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 38.20
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 38.48
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 38.60
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 39.16
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 39.42
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 39.68
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 40.28
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 41.10
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 41.77
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 42.18
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 42.60
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.77
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 43.27
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 44.08
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 44.42
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 44.58
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 44.82
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 45.28
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 45.58
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 45.85
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 46.21
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 46.62
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 47.28
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 47.56
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 47.77
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 48.16
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 48.36
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 48.64
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 48.90
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 49.40
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 49.85
Rtb_to_modes> 106 vectors, with 1104 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 1.00000 1.00002 1.00000
0.99997 0.99999 1.00002 0.99999 0.99999
1.00001 0.99999 0.99998 1.00001 0.99999
0.99999 1.00000 1.00001 1.00002 1.00001
1.00001 1.00002 1.00003 1.00001 1.00002
0.99999 1.00002 0.99999 1.00002 1.00000
1.00000 0.99999 1.00001 0.99998 1.00001
1.00002 0.99998 1.00000 0.99999 1.00001
1.00001 1.00000 0.99999 1.00000 0.99999
0.99999 1.00000 1.00000 1.00002 1.00001
0.99999 1.00001 1.00003 1.00001 1.00000
0.99999 1.00001 1.00003 1.00000 1.00000
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 1.00001
1.00000 1.00001 1.00000 1.00000 0.99999
1.00002 1.00002 1.00000 1.00002 1.00000
0.99999 1.00002 0.99999 1.00001 1.00000
1.00000 1.00001 1.00001 1.00000 0.99999
1.00000 1.00001 1.00001 1.00002 1.00001
1.00002 1.00000 1.00001 1.00001 1.00000
1.00000 1.00000 0.99997 1.00001 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 105606 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 1.00000 1.00002 1.00000
0.99997 0.99999 1.00002 0.99999 0.99999
1.00001 0.99999 0.99998 1.00001 0.99999
0.99999 1.00000 1.00001 1.00002 1.00001
1.00001 1.00002 1.00003 1.00001 1.00002
0.99999 1.00002 0.99999 1.00002 1.00000
1.00000 0.99999 1.00001 0.99998 1.00001
1.00002 0.99998 1.00000 0.99999 1.00001
1.00001 1.00000 0.99999 1.00000 0.99999
0.99999 1.00000 1.00000 1.00002 1.00001
0.99999 1.00001 1.00003 1.00001 1.00000
0.99999 1.00001 1.00003 1.00000 1.00000
0.99999 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 1.00001
1.00000 1.00001 1.00000 1.00000 0.99999
1.00002 1.00002 1.00000 1.00002 1.00000
0.99999 1.00002 0.99999 1.00001 1.00000
1.00000 1.00001 1.00001 1.00000 0.99999
1.00000 1.00001 1.00001 1.00002 1.00001
1.00002 1.00000 1.00001 1.00001 1.00000
1.00000 1.00000 0.99997 1.00001 1.00000
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000-0.000 0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000 0.000 0.000
Vector 7:-0.000-0.000 0.000-0.000-0.000 0.000
Vector 8:-0.000-0.000 0.000 0.000-0.000 0.000-0.000
Vector 9: 0.000 0.000 0.000-0.000-0.000-0.000 0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000 0.000-0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404022139232096680.eigenfacs
Openam> file on opening on unit 10:
2404022139232096680.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404022139232096680.atom
Openam> file on opening on unit 11:
2404022139232096680.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 = 734
First residue number = 27
Last residue number = 155
Number of atoms found = 5867
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: 9.9840E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9959E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2901E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 7.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 8.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 8.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 9.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 10.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 12.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 13.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 15.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 17.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 17.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 18.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 19.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 20.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 22.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 22.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 23.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 24.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 24.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 25.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 25.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 26.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 26.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 28.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 29.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 30.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 30.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 30.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 31.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 31.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 32.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 33.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 33.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 34.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 34.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 34.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 35.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 36.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 36.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 37.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 37.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 38.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 38.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 38.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 39.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 39.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 39.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 40.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 41.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 41.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 42.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 42.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 43.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 44.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 44.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 44.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 44.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 45.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 45.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 45.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 46.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 46.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 47.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 47.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 47.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 48.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 48.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 48.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 48.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 49.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 49.85
Bfactors> 106 vectors, 17601 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 : 0.072901
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= 0.378 for 734 C-alpha atoms.
Bfactors> = 0.095 +/- 0.09
Bfactors> = 27.971 +/- 9.09
Bfactors> Shiftng-fct= 27.876
Bfactors> Scaling-fct= 99.070
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404022139232096680 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=0
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=100
2404022139232096680.eigenfacs
2404022139232096680.atom
making animated gifs
11 models are in 2404022139232096680.7.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 2404022139232096680.7.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 2404022139232096680.7.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 2404022139232096680 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=0
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=100
2404022139232096680.eigenfacs
2404022139232096680.atom
making animated gifs
11 models are in 2404022139232096680.8.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 2404022139232096680.8.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 2404022139232096680.8.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 2404022139232096680 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=0
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=100
2404022139232096680.eigenfacs
2404022139232096680.atom
making animated gifs
11 models are in 2404022139232096680.9.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 2404022139232096680.9.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 2404022139232096680.9.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 2404022139232096680 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=0
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=100
2404022139232096680.eigenfacs
2404022139232096680.atom
making animated gifs
11 models are in 2404022139232096680.10.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 2404022139232096680.10.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 2404022139232096680.10.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 2404022139232096680 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=-20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=0
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=20
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=40
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=60
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=80
2404022139232096680.eigenfacs
2404022139232096680.atom
calculating perturbed structure for DQ=100
2404022139232096680.eigenfacs
2404022139232096680.atom
making animated gifs
11 models are in 2404022139232096680.11.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 2404022139232096680.11.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 2404022139232096680.11.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
2404022139232096680.10.pdb
2404022139232096680.11.pdb
2404022139232096680.7.pdb
2404022139232096680.8.pdb
2404022139232096680.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.327s
user 0m29.235s
sys 0m0.092s
../../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: 2404022139232096680.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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