*** 5IKO ***
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 = 2403291536131420903.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 2403291536131420903.atom to be opened.
Openam> File opened: 2403291536131420903.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 = 807
First residue number = 21
Last residue number = 839
Number of atoms found = 6531
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 34.780269 +/- 17.368692 From: -1.064000 To: 78.101000
= 247.423708 +/- 13.859893 From: 211.192000 To: 278.049000
= 150.636230 +/- 16.435291 From: 108.019000 To: 185.607000
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 1.3283 % Filled.
Pdbmat> 2549638 non-zero elements.
Pdbmat> 278973 atom-atom interactions.
Pdbmat> Number per atom= 85.43 +/- 22.22
Maximum number = 131
Minimum number = 11
Pdbmat> Matrix trace = 5.579460E+06
Pdbmat> Larger element = 496.044
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
807 non-zero elements, NRBL set to 5
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 = 2403291536131420903.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 2403291536131420903.atom to be opened.
Openam> file on opening on unit 11:
2403291536131420903.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6531 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 807 residues.
Blocpdb> 32 atoms in block 1
Block first atom: 1
Blocpdb> 42 atoms in block 2
Block first atom: 33
Blocpdb> 48 atoms in block 3
Block first atom: 75
Blocpdb> 43 atoms in block 4
Block first atom: 123
Blocpdb> 43 atoms in block 5
Block first atom: 166
Blocpdb> 38 atoms in block 6
Block first atom: 209
Blocpdb> 47 atoms in block 7
Block first atom: 247
Blocpdb> 40 atoms in block 8
Block first atom: 294
Blocpdb> 37 atoms in block 9
Block first atom: 334
Blocpdb> 51 atoms in block 10
Block first atom: 371
Blocpdb> 52 atoms in block 11
Block first atom: 422
Blocpdb> 44 atoms in block 12
Block first atom: 474
Blocpdb> 51 atoms in block 13
Block first atom: 518
Blocpdb> 46 atoms in block 14
Block first atom: 569
Blocpdb> 38 atoms in block 15
Block first atom: 615
Blocpdb> 39 atoms in block 16
Block first atom: 653
Blocpdb> 37 atoms in block 17
Block first atom: 692
Blocpdb> 36 atoms in block 18
Block first atom: 729
Blocpdb> 42 atoms in block 19
Block first atom: 765
Blocpdb> 37 atoms in block 20
Block first atom: 807
Blocpdb> 43 atoms in block 21
Block first atom: 844
Blocpdb> 35 atoms in block 22
Block first atom: 887
Blocpdb> 28 atoms in block 23
Block first atom: 922
Blocpdb> 36 atoms in block 24
Block first atom: 950
Blocpdb> 38 atoms in block 25
Block first atom: 986
Blocpdb> 34 atoms in block 26
Block first atom: 1024
Blocpdb> 34 atoms in block 27
Block first atom: 1058
Blocpdb> 39 atoms in block 28
Block first atom: 1092
Blocpdb> 44 atoms in block 29
Block first atom: 1131
Blocpdb> 45 atoms in block 30
Block first atom: 1175
Blocpdb> 42 atoms in block 31
Block first atom: 1220
Blocpdb> 38 atoms in block 32
Block first atom: 1262
Blocpdb> 53 atoms in block 33
Block first atom: 1300
Blocpdb> 42 atoms in block 34
Block first atom: 1353
Blocpdb> 41 atoms in block 35
Block first atom: 1395
Blocpdb> 42 atoms in block 36
Block first atom: 1436
Blocpdb> 48 atoms in block 37
Block first atom: 1478
Blocpdb> 40 atoms in block 38
Block first atom: 1526
Blocpdb> 42 atoms in block 39
Block first atom: 1566
Blocpdb> 39 atoms in block 40
Block first atom: 1608
Blocpdb> 35 atoms in block 41
Block first atom: 1647
Blocpdb> 41 atoms in block 42
Block first atom: 1682
Blocpdb> 40 atoms in block 43
Block first atom: 1723
Blocpdb> 37 atoms in block 44
Block first atom: 1763
Blocpdb> 47 atoms in block 45
Block first atom: 1800
Blocpdb> 34 atoms in block 46
Block first atom: 1847
Blocpdb> 8 atoms in block 47
Block first atom: 1881
Blocpdb> 38 atoms in block 48
Block first atom: 1889
Blocpdb> 42 atoms in block 49
Block first atom: 1927
Blocpdb> 42 atoms in block 50
Block first atom: 1969
Blocpdb> 38 atoms in block 51
Block first atom: 2011
Blocpdb> 44 atoms in block 52
Block first atom: 2049
Blocpdb> 23 atoms in block 53
Block first atom: 2093
Blocpdb> 42 atoms in block 54
Block first atom: 2116
Blocpdb> 45 atoms in block 55
Block first atom: 2158
Blocpdb> 46 atoms in block 56
Block first atom: 2203
Blocpdb> 34 atoms in block 57
Block first atom: 2249
Blocpdb> 46 atoms in block 58
Block first atom: 2283
Blocpdb> 41 atoms in block 59
Block first atom: 2329
Blocpdb> 15 atoms in block 60
Block first atom: 2370
Blocpdb> 40 atoms in block 61
Block first atom: 2385
Blocpdb> 42 atoms in block 62
Block first atom: 2425
Blocpdb> 38 atoms in block 63
Block first atom: 2467
Blocpdb> 37 atoms in block 64
Block first atom: 2505
Blocpdb> 38 atoms in block 65
Block first atom: 2542
Blocpdb> 43 atoms in block 66
Block first atom: 2580
Blocpdb> 40 atoms in block 67
Block first atom: 2623
Blocpdb> 46 atoms in block 68
Block first atom: 2663
Blocpdb> 43 atoms in block 69
Block first atom: 2709
Blocpdb> 36 atoms in block 70
Block first atom: 2752
Blocpdb> 44 atoms in block 71
Block first atom: 2788
Blocpdb> 36 atoms in block 72
Block first atom: 2832
Blocpdb> 49 atoms in block 73
Block first atom: 2868
Blocpdb> 41 atoms in block 74
Block first atom: 2917
Blocpdb> 43 atoms in block 75
Block first atom: 2958
Blocpdb> 43 atoms in block 76
Block first atom: 3001
Blocpdb> 42 atoms in block 77
Block first atom: 3044
Blocpdb> 47 atoms in block 78
Block first atom: 3086
Blocpdb> 36 atoms in block 79
Block first atom: 3133
Blocpdb> 34 atoms in block 80
Block first atom: 3169
Blocpdb> 49 atoms in block 81
Block first atom: 3203
Blocpdb> 39 atoms in block 82
Block first atom: 3252
Blocpdb> 38 atoms in block 83
Block first atom: 3291
Blocpdb> 39 atoms in block 84
Block first atom: 3329
Blocpdb> 33 atoms in block 85
Block first atom: 3368
Blocpdb> 36 atoms in block 86
Block first atom: 3401
Blocpdb> 35 atoms in block 87
Block first atom: 3437
Blocpdb> 40 atoms in block 88
Block first atom: 3472
Blocpdb> 42 atoms in block 89
Block first atom: 3512
Blocpdb> 49 atoms in block 90
Block first atom: 3554
Blocpdb> 42 atoms in block 91
Block first atom: 3603
Blocpdb> 44 atoms in block 92
Block first atom: 3645
Blocpdb> 34 atoms in block 93
Block first atom: 3689
Blocpdb> 52 atoms in block 94
Block first atom: 3723
Blocpdb> 33 atoms in block 95
Block first atom: 3775
Blocpdb> 36 atoms in block 96
Block first atom: 3808
Blocpdb> 37 atoms in block 97
Block first atom: 3844
Blocpdb> 44 atoms in block 98
Block first atom: 3881
Blocpdb> 39 atoms in block 99
Block first atom: 3925
Blocpdb> 41 atoms in block 100
Block first atom: 3964
Blocpdb> 38 atoms in block 101
Block first atom: 4005
Blocpdb> 45 atoms in block 102
Block first atom: 4043
Blocpdb> 37 atoms in block 103
Block first atom: 4088
Blocpdb> 43 atoms in block 104
Block first atom: 4125
Blocpdb> 42 atoms in block 105
Block first atom: 4168
Blocpdb> 47 atoms in block 106
Block first atom: 4210
Blocpdb> 41 atoms in block 107
Block first atom: 4257
Blocpdb> 38 atoms in block 108
Block first atom: 4298
Blocpdb> 41 atoms in block 109
Block first atom: 4336
Blocpdb> 50 atoms in block 110
Block first atom: 4377
Blocpdb> 45 atoms in block 111
Block first atom: 4427
Blocpdb> 39 atoms in block 112
Block first atom: 4472
Blocpdb> 42 atoms in block 113
Block first atom: 4511
Blocpdb> 47 atoms in block 114
Block first atom: 4553
Blocpdb> 37 atoms in block 115
Block first atom: 4600
Blocpdb> 39 atoms in block 116
Block first atom: 4637
Blocpdb> 33 atoms in block 117
Block first atom: 4676
Blocpdb> 33 atoms in block 118
Block first atom: 4709
Blocpdb> 40 atoms in block 119
Block first atom: 4742
Blocpdb> 40 atoms in block 120
Block first atom: 4782
Blocpdb> 33 atoms in block 121
Block first atom: 4822
Blocpdb> 40 atoms in block 122
Block first atom: 4855
Blocpdb> 33 atoms in block 123
Block first atom: 4895
Blocpdb> 43 atoms in block 124
Block first atom: 4928
Blocpdb> 48 atoms in block 125
Block first atom: 4971
Blocpdb> 37 atoms in block 126
Block first atom: 5019
Blocpdb> 40 atoms in block 127
Block first atom: 5056
Blocpdb> 32 atoms in block 128
Block first atom: 5096
Blocpdb> 39 atoms in block 129
Block first atom: 5128
Blocpdb> 30 atoms in block 130
Block first atom: 5167
Blocpdb> 29 atoms in block 131
Block first atom: 5197
Blocpdb> 44 atoms in block 132
Block first atom: 5226
Blocpdb> 32 atoms in block 133
Block first atom: 5270
Blocpdb> 35 atoms in block 134
Block first atom: 5302
Blocpdb> 33 atoms in block 135
Block first atom: 5337
Blocpdb> 36 atoms in block 136
Block first atom: 5370
Blocpdb> 34 atoms in block 137
Block first atom: 5406
Blocpdb> 42 atoms in block 138
Block first atom: 5440
Blocpdb> 42 atoms in block 139
Block first atom: 5482
Blocpdb> 41 atoms in block 140
Block first atom: 5524
Blocpdb> 38 atoms in block 141
Block first atom: 5565
Blocpdb> 52 atoms in block 142
Block first atom: 5603
Blocpdb> 42 atoms in block 143
Block first atom: 5655
Blocpdb> 38 atoms in block 144
Block first atom: 5697
Blocpdb> 33 atoms in block 145
Block first atom: 5735
Blocpdb> 44 atoms in block 146
Block first atom: 5768
Blocpdb> 41 atoms in block 147
Block first atom: 5812
Blocpdb> 40 atoms in block 148
Block first atom: 5853
Blocpdb> 51 atoms in block 149
Block first atom: 5893
Blocpdb> 46 atoms in block 150
Block first atom: 5944
Blocpdb> 45 atoms in block 151
Block first atom: 5990
Blocpdb> 40 atoms in block 152
Block first atom: 6035
Blocpdb> 38 atoms in block 153
Block first atom: 6075
Blocpdb> 48 atoms in block 154
Block first atom: 6113
Blocpdb> 46 atoms in block 155
Block first atom: 6161
Blocpdb> 44 atoms in block 156
Block first atom: 6207
Blocpdb> 33 atoms in block 157
Block first atom: 6251
Blocpdb> 36 atoms in block 158
Block first atom: 6284
Blocpdb> 41 atoms in block 159
Block first atom: 6320
Blocpdb> 46 atoms in block 160
Block first atom: 6361
Blocpdb> 42 atoms in block 161
Block first atom: 6407
Blocpdb> 38 atoms in block 162
Block first atom: 6449
Blocpdb> 37 atoms in block 163
Block first atom: 6487
Blocpdb> 8 atoms in block 164
Block first atom: 6523
Blocpdb> 164 blocks.
Blocpdb> At most, 53 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 2549802 matrix lines read.
Prepmat> Matrix order = 19593
Prepmat> Matrix trace = 5579460.0000
Prepmat> Last element read: 19593 19593 97.5028
Prepmat> 13531 lines saved.
Prepmat> 11959 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: 6531
RTB> Total mass = 6531.0000
RTB> Number of atoms found in matrix: 6531
RTB> Number of blocks = 164
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 195044.9519
RTB> 54096 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 = 984
Diagstd> Nb of non-zero elements: 54096
Diagstd> Projected matrix trace = 195044.9519
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 984 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 195044.9519
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 1.1049559 1.2792414 1.3356670 2.1355187
2.6009672 3.0524596 3.4875380 3.7388515 4.9879246
5.5658745 6.1506782 6.9770773 7.3543227 7.7252434
8.6252914 8.9731224 9.3848632 9.7826678 10.1628289
10.6081047 11.6462500 12.0357493 12.4939739 13.1650445
13.6346752 14.2092294 14.7471692 15.4764765 16.3717270
16.4810433 17.2839910 17.4026414 18.3775484 18.5288794
18.7300145 19.5396800 20.2846471 20.6121949 21.0945104
21.3447875 21.7445488 21.9057101 22.4388425 22.5719744
23.8508471 24.4963212 25.0003097 25.3669480 25.8364674
26.2675021 27.2013802 27.5156555 27.7016329 28.2539918
28.9237565 29.2380900 30.2105484 30.3478654 30.6816734
31.1084913 31.4256338 32.2567566 32.5497422 33.1609915
33.4932037 33.5406426 34.2022779 34.6340617 35.1129155
35.2846071 35.9112339 36.2516532 36.9078437 37.4874972
38.0367050 38.5952365 38.8989920 39.3381694 39.8464064
40.5206682 41.2931963 41.4553683 42.2660545 42.4635650
42.6438124 43.5205045 44.2801144 45.3490614 45.4692979
46.0976519 46.6466232 47.3626882 47.7234880 48.4592820
48.9717832 49.7081915 50.0152702 50.3972500 50.7444059
50.9364306
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034332 0.0034333 0.0034339 0.0034348
0.0034354 114.1478532 122.8206916 125.5001870 158.6890545
175.1308756 189.7231130 202.7938382 209.9734526 242.5242787
256.1898883 269.3126687 286.8349373 294.4873351 301.8223299
318.9203025 325.2872769 332.6666415 339.6439886 346.1804896
353.6829950 370.5854257 376.7314230 383.8358875 394.0092763
400.9753527 409.3365668 417.0130168 427.2000819 439.3822695
440.8467362 451.4579404 453.0048645 465.5207755 467.4335252
469.9637248 480.0141107 489.0789915 493.0118977 498.7466653
501.6966460 506.3729296 508.2459755 514.3935390 515.9172571
530.3312082 537.4594633 542.9601726 546.9270323 551.9653894
556.5506161 566.3576234 569.6199766 571.5417564 577.2117820
584.0131534 587.1780056 596.8629001 598.2178319 601.4988499
605.6681759 608.7476571 616.7449881 619.5395800 625.3296684
628.4541890 628.8990954 635.0717525 639.0678851 643.4706254
645.0418962 650.7444072 653.8214860 659.7123535 664.8727038
669.7253296 674.6245377 677.2740788 681.0866270 685.4722226
691.2475090 697.8057293 699.1746428 705.9779464 707.6255515
709.1258097 716.3780013 722.6028125 731.2728198 732.2416101
737.2837847 741.6609029 747.3317823 750.1728962 755.9338059
759.9206383 765.6129337 767.9741289 770.9011612 773.5517381
775.0139758
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6531
Rtb_to_modes> Number of blocs = 164
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: 9.9896E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9956E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.105
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.279
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.336
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.136
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.601
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.052
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.488
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.739
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.988
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.566
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 6.151
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.977
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.354
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.725
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.625
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.973
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 9.385
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 9.783
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 10.16
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.04
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.49
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.17
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 13.63
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 14.21
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 14.75
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 15.48
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 16.37
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.48
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 17.28
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.40
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.38
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 18.53
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 20.28
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 20.61
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 21.09
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 21.34
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 21.74
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 21.91
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 22.44
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 22.57
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 23.85
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 24.50
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 25.00
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 25.37
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 25.84
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 26.27
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 27.20
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 27.52
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 27.70
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 28.92
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 29.24
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 30.21
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 30.35
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 30.68
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 31.11
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 31.43
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 32.26
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 32.55
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 33.16
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 33.49
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 33.54
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 34.20
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 34.63
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 35.11
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 35.28
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 35.91
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 36.25
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 36.91
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 37.49
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 38.04
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 38.60
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 38.90
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 39.34
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 39.85
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 40.52
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 41.29
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 41.46
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 42.27
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 42.46
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 42.64
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 43.52
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 44.28
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 45.35
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 45.47
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 46.10
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 46.65
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 47.36
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 47.72
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 48.46
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 48.97
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 49.71
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 50.02
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 50.40
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 50.74
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 50.94
Rtb_to_modes> 106 vectors, with 984 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00001 0.99999
1.00000 1.00002 1.00003 0.99999 1.00002
1.00000 1.00002 1.00000 1.00001 1.00004
1.00001 1.00000 1.00000 1.00000 1.00002
0.99997 0.99996 1.00000 0.99999 0.99997
1.00000 0.99999 0.99999 0.99998 1.00001
1.00000 0.99997 0.99998 0.99999 0.99999
1.00003 0.99999 0.99998 0.99998 1.00003
1.00000 1.00001 0.99999 0.99999 1.00000
1.00002 1.00001 1.00000 1.00001 1.00000
1.00001 1.00001 0.99999 0.99999 1.00000
0.99998 0.99998 0.99999 1.00000 0.99999
1.00001 1.00000 1.00000 0.99998 1.00000
0.99998 1.00001 1.00002 1.00001 0.99998
0.99998 1.00003 1.00001 0.99998 1.00001
1.00002 1.00002 1.00001 0.99999 1.00003
1.00002 1.00000 0.99999 1.00002 1.00000
1.00002 1.00000 0.99999 1.00000 0.99998
1.00003 0.99999 0.99999 1.00000 1.00000
1.00001 0.99999 1.00000 1.00001 0.99998
1.00002 1.00003 1.00000 1.00002 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 117558 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00001 0.99999
1.00000 1.00002 1.00003 0.99999 1.00002
1.00000 1.00002 1.00000 1.00001 1.00004
1.00001 1.00000 1.00000 1.00000 1.00002
0.99997 0.99996 1.00000 0.99999 0.99997
1.00000 0.99999 0.99999 0.99998 1.00001
1.00000 0.99997 0.99998 0.99999 0.99999
1.00003 0.99999 0.99998 0.99998 1.00003
1.00000 1.00001 0.99999 0.99999 1.00000
1.00002 1.00001 1.00000 1.00001 1.00000
1.00001 1.00001 0.99999 0.99999 1.00000
0.99998 0.99998 0.99999 1.00000 0.99999
1.00001 1.00000 1.00000 0.99998 1.00000
0.99998 1.00001 1.00002 1.00001 0.99998
0.99998 1.00003 1.00001 0.99998 1.00001
1.00002 1.00002 1.00001 0.99999 1.00003
1.00002 1.00000 0.99999 1.00002 1.00000
1.00002 1.00000 0.99999 1.00000 0.99998
1.00003 0.99999 0.99999 1.00000 1.00000
1.00001 0.99999 1.00000 1.00001 0.99998
1.00002 1.00003 1.00000 1.00002 1.00000
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> 2403291536131420903.eigenfacs
Openam> file on opening on unit 10:
2403291536131420903.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403291536131420903.atom
Openam> file on opening on unit 11:
2403291536131420903.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 = 807
First residue number = 21
Last residue number = 839
Number of atoms found = 6531
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9896E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 6.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.385
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 13.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 15.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 17.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 18.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 20.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 21.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 21.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 22.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 22.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 23.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 24.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 25.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 25.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 25.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 26.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 27.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 27.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 27.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 28.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 29.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 30.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 30.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 30.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 31.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 31.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 32.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 32.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 33.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 33.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 33.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 34.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 34.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 35.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 35.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 35.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 36.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 36.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 37.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 38.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 38.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 38.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 39.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 39.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 40.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 41.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 41.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 42.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 42.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 42.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 43.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 44.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 45.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 45.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 46.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 46.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 47.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 47.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 48.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 48.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 49.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 50.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 50.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 50.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 50.94
Bfactors> 106 vectors, 19593 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 : 1.105000
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= 0.521 for 808 C-alpha atoms.
Bfactors> = 0.019 +/- 0.04
Bfactors> = 66.174 +/- 13.64
Bfactors> Shiftng-fct= 66.155
Bfactors> Scaling-fct= 325.090
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403291536131420903 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=0
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=100
2403291536131420903.eigenfacs
2403291536131420903.atom
making animated gifs
11 models are in 2403291536131420903.7.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 2403291536131420903.7.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 2403291536131420903.7.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 2403291536131420903 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=0
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=100
2403291536131420903.eigenfacs
2403291536131420903.atom
making animated gifs
11 models are in 2403291536131420903.8.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 2403291536131420903.8.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 2403291536131420903.8.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 2403291536131420903 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=0
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=100
2403291536131420903.eigenfacs
2403291536131420903.atom
making animated gifs
11 models are in 2403291536131420903.9.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 2403291536131420903.9.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 2403291536131420903.9.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 2403291536131420903 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=0
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=100
2403291536131420903.eigenfacs
2403291536131420903.atom
making animated gifs
11 models are in 2403291536131420903.10.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 2403291536131420903.10.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 2403291536131420903.10.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 2403291536131420903 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=-20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=0
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=20
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=40
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=60
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=80
2403291536131420903.eigenfacs
2403291536131420903.atom
calculating perturbed structure for DQ=100
2403291536131420903.eigenfacs
2403291536131420903.atom
making animated gifs
11 models are in 2403291536131420903.11.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 2403291536131420903.11.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 2403291536131420903.11.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
2403291536131420903.10.pdb
2403291536131420903.11.pdb
2403291536131420903.7.pdb
2403291536131420903.8.pdb
2403291536131420903.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m27.142s
user 0m27.041s
sys 0m0.100s
../../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: 2403291536131420903.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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