*** PROTEIN BINDING 15-FEB-20 6VUG ***
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 = 2404121752203855303.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 2404121752203855303.atom to be opened.
Openam> File opened: 2404121752203855303.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 = 1217
First residue number = 2
Last residue number = 33
Number of atoms found = 9676
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= -34.958982 +/- 17.812870 From: -82.150000 To: 9.259000
= -33.420412 +/- 16.972435 From: -76.118000 To: 6.800000
= 12.732648 +/- 24.535861 From: -49.905000 To: 68.474000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DA ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 32 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.8578 % Filled.
Pdbmat> 3614148 non-zero elements.
Pdbmat> 395183 atom-atom interactions.
Pdbmat> Number per atom= 81.68 +/- 21.85
Maximum number = 130
Minimum number = 6
Pdbmat> Matrix trace = 7.903660E+06
Pdbmat> Larger element = 514.674
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1217 non-zero elements, NRBL set to 7
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 = 2404121752203855303.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2404121752203855303.atom to be opened.
Openam> file on opening on unit 11:
2404121752203855303.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9676 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1217 residues.
Blocpdb> 39 atoms in block 1
Block first atom: 1
Blocpdb> 42 atoms in block 2
Block first atom: 40
Blocpdb> 39 atoms in block 3
Block first atom: 82
Blocpdb> 46 atoms in block 4
Block first atom: 121
Blocpdb> 35 atoms in block 5
Block first atom: 167
Blocpdb> 40 atoms in block 6
Block first atom: 202
Blocpdb> 38 atoms in block 7
Block first atom: 242
Blocpdb> 49 atoms in block 8
Block first atom: 280
Blocpdb> 25 atoms in block 9
Block first atom: 329
Blocpdb> 47 atoms in block 10
Block first atom: 354
Blocpdb> 57 atoms in block 11
Block first atom: 401
Blocpdb> 65 atoms in block 12
Block first atom: 458
Blocpdb> 53 atoms in block 13
Block first atom: 523
Blocpdb> 41 atoms in block 14
Block first atom: 576
Blocpdb> 49 atoms in block 15
Block first atom: 617
Blocpdb> 48 atoms in block 16
Block first atom: 666
Blocpdb> 58 atoms in block 17
Block first atom: 714
Blocpdb> 54 atoms in block 18
Block first atom: 772
Blocpdb> 61 atoms in block 19
Block first atom: 826
Blocpdb> 55 atoms in block 20
Block first atom: 887
Blocpdb> 52 atoms in block 21
Block first atom: 942
Blocpdb> 50 atoms in block 22
Block first atom: 994
Blocpdb> 48 atoms in block 23
Block first atom: 1044
Blocpdb> 64 atoms in block 24
Block first atom: 1092
Blocpdb> 55 atoms in block 25
Block first atom: 1156
Blocpdb> 45 atoms in block 26
Block first atom: 1211
Blocpdb> 51 atoms in block 27
Block first atom: 1256
Blocpdb> 49 atoms in block 28
Block first atom: 1307
Blocpdb> 50 atoms in block 29
Block first atom: 1356
Blocpdb> 52 atoms in block 30
Block first atom: 1406
Blocpdb> 66 atoms in block 31
Block first atom: 1458
Blocpdb> 56 atoms in block 32
Block first atom: 1524
Blocpdb> 51 atoms in block 33
Block first atom: 1580
Blocpdb> 52 atoms in block 34
Block first atom: 1631
Blocpdb> 53 atoms in block 35
Block first atom: 1683
Blocpdb> 54 atoms in block 36
Block first atom: 1736
Blocpdb> 57 atoms in block 37
Block first atom: 1790
Blocpdb> 57 atoms in block 38
Block first atom: 1847
Blocpdb> 19 atoms in block 39
Block first atom: 1904
Blocpdb> 43 atoms in block 40
Block first atom: 1923
Blocpdb> 54 atoms in block 41
Block first atom: 1966
Blocpdb> 58 atoms in block 42
Block first atom: 2020
Blocpdb> 45 atoms in block 43
Block first atom: 2078
Blocpdb> 60 atoms in block 44
Block first atom: 2123
Blocpdb> 52 atoms in block 45
Block first atom: 2183
Blocpdb> 49 atoms in block 46
Block first atom: 2235
Blocpdb> 71 atoms in block 47
Block first atom: 2284
Blocpdb> 57 atoms in block 48
Block first atom: 2355
Blocpdb> 57 atoms in block 49
Block first atom: 2412
Blocpdb> 49 atoms in block 50
Block first atom: 2469
Blocpdb> 57 atoms in block 51
Block first atom: 2518
Blocpdb> 52 atoms in block 52
Block first atom: 2575
Blocpdb> 56 atoms in block 53
Block first atom: 2627
Blocpdb> 54 atoms in block 54
Block first atom: 2683
Blocpdb> 59 atoms in block 55
Block first atom: 2737
Blocpdb> 72 atoms in block 56
Block first atom: 2796
Blocpdb> 64 atoms in block 57
Block first atom: 2868
Blocpdb> 65 atoms in block 58
Block first atom: 2932
Blocpdb> 59 atoms in block 59
Block first atom: 2997
Blocpdb> 55 atoms in block 60
Block first atom: 3056
Blocpdb> 47 atoms in block 61
Block first atom: 3111
Blocpdb> 46 atoms in block 62
Block first atom: 3158
Blocpdb> 36 atoms in block 63
Block first atom: 3204
Blocpdb> 50 atoms in block 64
Block first atom: 3240
Blocpdb> 45 atoms in block 65
Block first atom: 3290
Blocpdb> 44 atoms in block 66
Block first atom: 3335
Blocpdb> 55 atoms in block 67
Block first atom: 3379
Blocpdb> 56 atoms in block 68
Block first atom: 3434
Blocpdb> 51 atoms in block 69
Block first atom: 3490
Blocpdb> 55 atoms in block 70
Block first atom: 3541
Blocpdb> 50 atoms in block 71
Block first atom: 3596
Blocpdb> 51 atoms in block 72
Block first atom: 3646
Blocpdb> 54 atoms in block 73
Block first atom: 3697
Blocpdb> 53 atoms in block 74
Block first atom: 3751
Blocpdb> 58 atoms in block 75
Block first atom: 3804
Blocpdb> 45 atoms in block 76
Block first atom: 3862
Blocpdb> 44 atoms in block 77
Block first atom: 3907
Blocpdb> 43 atoms in block 78
Block first atom: 3951
Blocpdb> 48 atoms in block 79
Block first atom: 3994
Blocpdb> 54 atoms in block 80
Block first atom: 4042
Blocpdb> 57 atoms in block 81
Block first atom: 4096
Blocpdb> 48 atoms in block 82
Block first atom: 4153
Blocpdb> 48 atoms in block 83
Block first atom: 4201
Blocpdb> 48 atoms in block 84
Block first atom: 4249
Blocpdb> 56 atoms in block 85
Block first atom: 4297
Blocpdb> 57 atoms in block 86
Block first atom: 4353
Blocpdb> 60 atoms in block 87
Block first atom: 4410
Blocpdb> 60 atoms in block 88
Block first atom: 4470
Blocpdb> 67 atoms in block 89
Block first atom: 4530
Blocpdb> 5 atoms in block 90
Block first atom: 4597
Blocpdb> 50 atoms in block 91
Block first atom: 4602
Blocpdb> 50 atoms in block 92
Block first atom: 4652
Blocpdb> 52 atoms in block 93
Block first atom: 4702
Blocpdb> 56 atoms in block 94
Block first atom: 4754
Blocpdb> 61 atoms in block 95
Block first atom: 4810
Blocpdb> 54 atoms in block 96
Block first atom: 4871
Blocpdb> 54 atoms in block 97
Block first atom: 4925
Blocpdb> 63 atoms in block 98
Block first atom: 4979
Blocpdb> 53 atoms in block 99
Block first atom: 5042
Blocpdb> 50 atoms in block 100
Block first atom: 5095
Blocpdb> 57 atoms in block 101
Block first atom: 5145
Blocpdb> 50 atoms in block 102
Block first atom: 5202
Blocpdb> 64 atoms in block 103
Block first atom: 5252
Blocpdb> 53 atoms in block 104
Block first atom: 5316
Blocpdb> 59 atoms in block 105
Block first atom: 5369
Blocpdb> 58 atoms in block 106
Block first atom: 5428
Blocpdb> 64 atoms in block 107
Block first atom: 5486
Blocpdb> 48 atoms in block 108
Block first atom: 5550
Blocpdb> 62 atoms in block 109
Block first atom: 5598
Blocpdb> 63 atoms in block 110
Block first atom: 5660
Blocpdb> 62 atoms in block 111
Block first atom: 5723
Blocpdb> 51 atoms in block 112
Block first atom: 5785
Blocpdb> 58 atoms in block 113
Block first atom: 5836
Blocpdb> 51 atoms in block 114
Block first atom: 5894
Blocpdb> 59 atoms in block 115
Block first atom: 5945
Blocpdb> 51 atoms in block 116
Block first atom: 6004
Blocpdb> 54 atoms in block 117
Block first atom: 6055
Blocpdb> 46 atoms in block 118
Block first atom: 6109
Blocpdb> 47 atoms in block 119
Block first atom: 6155
Blocpdb> 49 atoms in block 120
Block first atom: 6202
Blocpdb> 62 atoms in block 121
Block first atom: 6251
Blocpdb> 47 atoms in block 122
Block first atom: 6313
Blocpdb> 58 atoms in block 123
Block first atom: 6360
Blocpdb> 57 atoms in block 124
Block first atom: 6418
Blocpdb> 56 atoms in block 125
Block first atom: 6475
Blocpdb> 65 atoms in block 126
Block first atom: 6531
Blocpdb> 49 atoms in block 127
Block first atom: 6596
Blocpdb> 56 atoms in block 128
Block first atom: 6645
Blocpdb> 58 atoms in block 129
Block first atom: 6701
Blocpdb> 49 atoms in block 130
Block first atom: 6759
Blocpdb> 52 atoms in block 131
Block first atom: 6808
Blocpdb> 57 atoms in block 132
Block first atom: 6860
Blocpdb> 61 atoms in block 133
Block first atom: 6917
Blocpdb> 74 atoms in block 134
Block first atom: 6978
Blocpdb> 63 atoms in block 135
Block first atom: 7052
Blocpdb> 72 atoms in block 136
Block first atom: 7115
Blocpdb> 48 atoms in block 137
Block first atom: 7187
Blocpdb> 46 atoms in block 138
Block first atom: 7235
Blocpdb> 47 atoms in block 139
Block first atom: 7281
Blocpdb> 48 atoms in block 140
Block first atom: 7328
Blocpdb> 47 atoms in block 141
Block first atom: 7376
Blocpdb> 45 atoms in block 142
Block first atom: 7423
Blocpdb> 55 atoms in block 143
Block first atom: 7468
Blocpdb> 69 atoms in block 144
Block first atom: 7523
Blocpdb> 46 atoms in block 145
Block first atom: 7592
Blocpdb> 59 atoms in block 146
Block first atom: 7638
Blocpdb> 48 atoms in block 147
Block first atom: 7697
Blocpdb> 55 atoms in block 148
Block first atom: 7745
Blocpdb> 52 atoms in block 149
Block first atom: 7800
Blocpdb> 53 atoms in block 150
Block first atom: 7852
Blocpdb> 61 atoms in block 151
Block first atom: 7905
Blocpdb> 62 atoms in block 152
Block first atom: 7966
Blocpdb> 56 atoms in block 153
Block first atom: 8028
Blocpdb> 34 atoms in block 154
Block first atom: 8084
Blocpdb> 50 atoms in block 155
Block first atom: 8118
Blocpdb> 42 atoms in block 156
Block first atom: 8168
Blocpdb> 48 atoms in block 157
Block first atom: 8210
Blocpdb> 42 atoms in block 158
Block first atom: 8258
Blocpdb> 44 atoms in block 159
Block first atom: 8300
Blocpdb> 59 atoms in block 160
Block first atom: 8344
Blocpdb> 43 atoms in block 161
Block first atom: 8403
Blocpdb> 70 atoms in block 162
Block first atom: 8446
Blocpdb> 57 atoms in block 163
Block first atom: 8516
Blocpdb> 55 atoms in block 164
Block first atom: 8573
Blocpdb> 47 atoms in block 165
Block first atom: 8628
Blocpdb> 57 atoms in block 166
Block first atom: 8675
Blocpdb> 47 atoms in block 167
Block first atom: 8732
Blocpdb> 57 atoms in block 168
Block first atom: 8779
Blocpdb> 46 atoms in block 169
Block first atom: 8836
Blocpdb> 49 atoms in block 170
Block first atom: 8882
Blocpdb> 56 atoms in block 171
Block first atom: 8931
Blocpdb> 32 atoms in block 172
Block first atom: 8987
Blocpdb> 40 atoms in block 173
Block first atom: 9019
Blocpdb> 19 atoms in block 174
Block first atom: 9059
Blocpdb> 138 atoms in block 175
Block first atom: 9078
Blocpdb> 143 atoms in block 176
Block first atom: 9216
Blocpdb> 143 atoms in block 177
Block first atom: 9359
Blocpdb> 153 atoms in block 178
Block first atom: 9502
Blocpdb> 22 atoms in block 179
Block first atom: 9654
Blocpdb> 179 blocks.
Blocpdb> At most, 153 atoms in each of them.
Blocpdb> At least, 5 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> 3614327 matrix lines read.
Prepmat> Matrix order = 29028
Prepmat> Matrix trace = 7903660.0000
Prepmat> Last element read: 29028 29028 244.0000
Prepmat> 16111 lines saved.
Prepmat> 14621 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: 9676
RTB> Total mass = 9676.0000
RTB> Number of atoms found in matrix: 9676
RTB> Number of blocks = 179
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 188614.6569
RTB> 50919 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 = 1074
Diagstd> Nb of non-zero elements: 50919
Diagstd> Projected matrix trace = 188614.6569
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1074 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 188614.6569
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 0.2937127 0.4892210 0.7153119 0.7295822
1.0055393 1.2763128 1.8373833 2.1212709 2.3501158
2.6691932 2.9450800 3.4696087 3.8229891 4.1141186
4.5175631 4.9385727 4.9751870 5.9665231 6.3831148
6.6473335 7.2155234 7.6648762 8.2852785 8.5223345
9.3265078 9.5756012 10.0143181 10.6022607 10.8822931
11.1090533 11.6590821 11.8129508 12.5101842 12.7865562
12.9352055 13.3648870 13.6334773 14.0339342 14.2403371
14.8412635 15.4433124 15.6822644 15.9890416 16.7226573
17.7462541 18.3576403 18.7329276 18.9502336 19.5412580
19.7079361 20.0916540 20.7288069 20.9869645 21.2374406
21.6304223 22.0462728 22.2652957 22.8183164 23.0425864
23.5566194 24.0936746 24.8134961 25.4774822 25.7713065
25.8574262 26.2111663 26.9344015 27.3427604 27.6855186
28.0994248 28.2964451 28.6967507 28.9770247 29.2021154
29.5093949 29.8144514 30.0989773 30.8368393 31.0222117
31.7808686 32.5056405 32.6082351 32.9099992 33.3361594
33.5175918 33.8510370 34.7828574 35.1210236 35.3533970
35.5835136 36.7977888 36.9143767 37.2278828 37.5330636
38.4012722 38.6447737 39.2022420 39.6384770 40.0068087
40.3855605
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034311 0.0034323 0.0034328 0.0034346 0.0034349
0.0034352 58.8513748 75.9535033 91.8423509 92.7539472
108.8917082 122.6800199 147.1957133 158.1587960 166.4715054
177.4129369 186.3561929 202.2718899 212.3228863 220.2590095
230.8061599 241.3214934 242.2144136 265.2503376 274.3541964
279.9748461 291.6951440 300.6407538 312.5711111 317.0111720
331.6307630 336.0301954 343.6417896 353.5855589 358.2246683
361.9376867 370.7895278 373.2282238 384.0848103 388.3041896
390.5547695 396.9884998 400.9577390 406.8037978 409.7843948
418.3412768 426.7421190 430.0309035 434.2166738 444.0664111
457.4552621 465.2685621 470.0002703 472.7184627 480.0334925
482.0763797 486.7468234 494.4045203 497.4736635 500.4334929
505.0423296 509.8740024 512.4004640 518.7248806 521.2677936
527.0499330 533.0240454 540.9277475 548.1173303 551.2689076
552.1892243 555.9534801 563.5713991 567.8275480 571.3754964
575.6307625 577.6452674 581.7168485 584.5506877 586.8166624
589.8959740 592.9371905 595.7597383 603.0179070 604.8276806
612.1786253 619.1197304 620.0959957 622.9586434 626.9790975
628.6829523 631.8023968 640.4392033 643.5449145 645.6703675
647.7683056 658.7280265 659.7707382 662.5664624 665.2766602
672.9272054 675.0573413 679.9089110 683.6813929 686.8505258
690.0941366
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9676
Rtb_to_modes> Number of blocs = 179
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: 9.9834E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9901E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9934E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2937
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4892
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.7153
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.7296
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.006
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.276
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.837
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.121
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.350
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.669
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.945
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.470
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.823
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.114
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.518
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.939
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.975
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.967
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.383
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.647
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.216
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.665
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.285
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.522
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.327
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.576
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 10.01
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.60
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.88
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.66
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 11.81
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 12.51
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 12.79
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 12.94
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 13.36
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 13.63
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 14.03
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 14.24
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 14.84
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 15.44
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 15.68
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 15.99
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 16.72
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 17.75
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 18.36
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 18.73
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 18.95
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 19.71
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 20.09
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 20.99
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 21.63
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 22.05
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 22.27
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 23.04
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 23.56
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 24.09
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 24.81
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.48
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 25.77
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 25.86
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 26.21
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 26.93
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 27.34
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 27.69
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 28.10
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 28.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 28.98
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 29.20
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 29.51
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 29.81
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 30.10
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 30.84
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 31.78
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 32.51
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 32.61
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 32.91
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 33.34
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 33.52
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 33.85
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 34.78
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 35.12
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 35.35
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 35.58
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 36.80
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 36.91
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 37.53
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 38.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 38.64
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 39.20
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 39.64
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 40.01
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 40.39
Rtb_to_modes> 106 vectors, with 1074 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 0.99999 1.00000 1.00000
1.00000 1.00004 1.00002 0.99999 0.99999
0.99998 0.99999 1.00000 0.99999 1.00002
1.00000 0.99999 1.00000 1.00001 1.00000
0.99999 1.00000 0.99999 0.99999 0.99999
0.99997 1.00001 1.00001 0.99999 1.00000
1.00001 1.00003 1.00001 1.00000 0.99997
0.99999 1.00000 0.99998 1.00001 1.00000
1.00000 0.99996 1.00002 1.00001 1.00002
1.00003 1.00003 0.99999 1.00002 1.00001
1.00001 1.00000 0.99999 0.99998 1.00001
1.00000 1.00001 1.00000 0.99999 1.00001
1.00000 1.00001 0.99999 1.00002 0.99999
1.00001 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00001 1.00000 0.99996
1.00001 0.99999 1.00003 1.00000 0.99999
0.99999 0.99997 1.00000 1.00000 1.00003
1.00001 0.99999 1.00001 0.99999 0.99999
1.00000 1.00000 1.00001 0.99997 1.00000
1.00001 1.00001 1.00003 1.00000 1.00001
1.00000 1.00000 0.99998 0.99997 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 174168 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 0.99999 1.00000 1.00000
1.00000 1.00004 1.00002 0.99999 0.99999
0.99998 0.99999 1.00000 0.99999 1.00002
1.00000 0.99999 1.00000 1.00001 1.00000
0.99999 1.00000 0.99999 0.99999 0.99999
0.99997 1.00001 1.00001 0.99999 1.00000
1.00001 1.00003 1.00001 1.00000 0.99997
0.99999 1.00000 0.99998 1.00001 1.00000
1.00000 0.99996 1.00002 1.00001 1.00002
1.00003 1.00003 0.99999 1.00002 1.00001
1.00001 1.00000 0.99999 0.99998 1.00001
1.00000 1.00001 1.00000 0.99999 1.00001
1.00000 1.00001 0.99999 1.00002 0.99999
1.00001 1.00001 1.00001 1.00000 1.00000
1.00000 1.00000 1.00001 1.00000 0.99996
1.00001 0.99999 1.00003 1.00000 0.99999
0.99999 0.99997 1.00000 1.00000 1.00003
1.00001 0.99999 1.00001 0.99999 0.99999
1.00000 1.00000 1.00001 0.99997 1.00000
1.00001 1.00001 1.00003 1.00000 1.00001
1.00000 1.00000 0.99998 0.99997 0.99998
1.00001
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> 2404121752203855303.eigenfacs
Openam> file on opening on unit 10:
2404121752203855303.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404121752203855303.atom
Openam> file on opening on unit 11:
2404121752203855303.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 = 1217
First residue number = 2
Last residue number = 33
Number of atoms found = 9676
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: 9.9834E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
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: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.837
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.939
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.647
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.285
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 11.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 12.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 12.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 12.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 13.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 13.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 14.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 15.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 15.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 16.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 18.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 19.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 20.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 22.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 23.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 23.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 24.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 24.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 25.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 25.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 26.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 26.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 27.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 27.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 28.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 28.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 28.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 29.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 29.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 29.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 30.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 30.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 31.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 32.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 32.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 32.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 33.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 33.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 33.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 34.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 35.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 35.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 35.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 36.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 36.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 37.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 38.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 38.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 39.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 39.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 40.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 40.39
Bfactors> 106 vectors, 29028 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 : 0.293700
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= 0.475 for 1185 C-alpha atoms.
Bfactors> = 0.032 +/- 0.03
Bfactors> = 46.062 +/- 23.09
Bfactors> Shiftng-fct= 46.030
Bfactors> Scaling-fct= 722.923
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404121752203855303 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=0
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=100
2404121752203855303.eigenfacs
2404121752203855303.atom
making animated gifs
11 models are in 2404121752203855303.7.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 2404121752203855303.7.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 2404121752203855303.7.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 2404121752203855303 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=0
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=100
2404121752203855303.eigenfacs
2404121752203855303.atom
making animated gifs
11 models are in 2404121752203855303.8.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 2404121752203855303.8.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 2404121752203855303.8.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 2404121752203855303 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=0
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=100
2404121752203855303.eigenfacs
2404121752203855303.atom
making animated gifs
11 models are in 2404121752203855303.9.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 2404121752203855303.9.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 2404121752203855303.9.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 2404121752203855303 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=0
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=100
2404121752203855303.eigenfacs
2404121752203855303.atom
making animated gifs
11 models are in 2404121752203855303.10.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 2404121752203855303.10.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 2404121752203855303.10.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 2404121752203855303 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=-20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=0
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=20
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=40
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=60
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=80
2404121752203855303.eigenfacs
2404121752203855303.atom
calculating perturbed structure for DQ=100
2404121752203855303.eigenfacs
2404121752203855303.atom
making animated gifs
11 models are in 2404121752203855303.11.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 2404121752203855303.11.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 2404121752203855303.11.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
2404121752203855303.10.pdb
2404121752203855303.11.pdb
2404121752203855303.7.pdb
2404121752203855303.8.pdb
2404121752203855303.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m49.186s
user 0m48.958s
sys 0m0.200s
../../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: 2404121752203855303.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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