***  BAK full membrane  ***
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 = 2602240914591290018.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 2602240914591290018.atom to be opened.
Openam> File opened: 2602240914591290018.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 = 1750
First residue number = 1
Last residue number = 1750
Number of atoms found = 62664
Mean number per residue = 35.8
Pdbmat> Coordinate statistics:
= 64.696272 +/- 34.763849 From: 1.430000 To: 127.519000
= 66.495992 +/- 34.374229 From: 1.107000 To: 130.438000
= 89.013763 +/- 14.528594 From: 4.112000 To: 178.913000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HIE ' is not a well known amino-acid.
%Pdbmat-W> residue:'HIE ' is not a well known amino-acid.
%Pdbmat-W> residue:'HIE ' is not a well known amino-acid.
%Pdbmat-W> residue:'HIE ' is not a well known amino-acid.
%Pdbmat-W> residue:'HIE ' is not a well known amino-acid.
%Pdbmat-W> residue:'HIE ' is not a well known amino-acid.
%Pdbmat-W> residue:'PA ' is not a well known amino-acid.
%Pdbmat-W> residue:'PC ' is not a well known amino-acid.
%Pdbmat-W> residue:'OL ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 1559 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 10.6447 % Filled.
Pdbmat> 52235845 non-zero elements.
Pdbmat> 5763195 atom-atom interactions.
Pdbmat> Number per atom= 183.94 +/- 50.45
Maximum number = 319
Minimum number = 0
Pdbmat> Matrix trace = 1.152639E+08
Pdbmat> Larger element = 1154.93
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1750 non-zero elements, NRBL set to 9
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 = 2602240914591290018.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 9
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 2602240914591290018.atom to be opened.
Openam> file on opening on unit 11:
2602240914591290018.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 62664 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 9 residue(s) per block.
Blocpdb> 1750 residues.
Blocpdb> 113 atoms in block 1
Block first atom: 1
Blocpdb> 131 atoms in block 2
Block first atom: 114
Blocpdb> 164 atoms in block 3
Block first atom: 245
Blocpdb> 147 atoms in block 4
Block first atom: 409
Blocpdb> 108 atoms in block 5
Block first atom: 556
Blocpdb> 141 atoms in block 6
Block first atom: 664
Blocpdb> 130 atoms in block 7
Block first atom: 805
Blocpdb> 131 atoms in block 8
Block first atom: 935
Blocpdb> 158 atoms in block 9
Block first atom: 1066
Blocpdb> 144 atoms in block 10
Block first atom: 1224
Blocpdb> 152 atoms in block 11
Block first atom: 1368
Blocpdb> 126 atoms in block 12
Block first atom: 1520
Blocpdb> 149 atoms in block 13
Block first atom: 1646
Blocpdb> 146 atoms in block 14
Block first atom: 1795
Blocpdb> 135 atoms in block 15
Block first atom: 1941
Blocpdb> 153 atoms in block 16
Block first atom: 2076
Blocpdb> 148 atoms in block 17
Block first atom: 2229
Blocpdb> 142 atoms in block 18
Block first atom: 2377
Blocpdb> 133 atoms in block 19
Block first atom: 2519
Blocpdb> 140 atoms in block 20
Block first atom: 2652
Blocpdb> 140 atoms in block 21
Block first atom: 2792
Blocpdb> 200 atoms in block 22
Block first atom: 2932
Blocpdb> 402 atoms in block 23
Block first atom: 3132
Blocpdb> 402 atoms in block 24
Block first atom: 3534
Blocpdb> 402 atoms in block 25
Block first atom: 3936
Blocpdb> 402 atoms in block 26
Block first atom: 4338
Blocpdb> 402 atoms in block 27
Block first atom: 4740
Blocpdb> 402 atoms in block 28
Block first atom: 5142
Blocpdb> 402 atoms in block 29
Block first atom: 5544
Blocpdb> 402 atoms in block 30
Block first atom: 5946
Blocpdb> 402 atoms in block 31
Block first atom: 6348
Blocpdb> 402 atoms in block 32
Block first atom: 6750
Blocpdb> 402 atoms in block 33
Block first atom: 7152
Blocpdb> 402 atoms in block 34
Block first atom: 7554
Blocpdb> 402 atoms in block 35
Block first atom: 7956
Blocpdb> 402 atoms in block 36
Block first atom: 8358
Blocpdb> 402 atoms in block 37
Block first atom: 8760
Blocpdb> 402 atoms in block 38
Block first atom: 9162
Blocpdb> 402 atoms in block 39
Block first atom: 9564
Blocpdb> 402 atoms in block 40
Block first atom: 9966
Blocpdb> 402 atoms in block 41
Block first atom: 10368
Blocpdb> 402 atoms in block 42
Block first atom: 10770
Blocpdb> 402 atoms in block 43
Block first atom: 11172
Blocpdb> 402 atoms in block 44
Block first atom: 11574
Blocpdb> 402 atoms in block 45
Block first atom: 11976
Blocpdb> 402 atoms in block 46
Block first atom: 12378
Blocpdb> 402 atoms in block 47
Block first atom: 12780
Blocpdb> 402 atoms in block 48
Block first atom: 13182
Blocpdb> 402 atoms in block 49
Block first atom: 13584
Blocpdb> 402 atoms in block 50
Block first atom: 13986
Blocpdb> 402 atoms in block 51
Block first atom: 14388
Blocpdb> 402 atoms in block 52
Block first atom: 14790
Blocpdb> 402 atoms in block 53
Block first atom: 15192
Blocpdb> 402 atoms in block 54
Block first atom: 15594
Blocpdb> 402 atoms in block 55
Block first atom: 15996
Blocpdb> 402 atoms in block 56
Block first atom: 16398
Blocpdb> 375 atoms in block 57
Block first atom: 16800
Blocpdb> 375 atoms in block 58
Block first atom: 17175
Blocpdb> 375 atoms in block 59
Block first atom: 17550
Blocpdb> 375 atoms in block 60
Block first atom: 17925
Blocpdb> 375 atoms in block 61
Block first atom: 18300
Blocpdb> 375 atoms in block 62
Block first atom: 18675
Blocpdb> 375 atoms in block 63
Block first atom: 19050
Blocpdb> 375 atoms in block 64
Block first atom: 19425
Blocpdb> 375 atoms in block 65
Block first atom: 19800
Blocpdb> 375 atoms in block 66
Block first atom: 20175
Blocpdb> 375 atoms in block 67
Block first atom: 20550
Blocpdb> 375 atoms in block 68
Block first atom: 20925
Blocpdb> 375 atoms in block 69
Block first atom: 21300
Blocpdb> 375 atoms in block 70
Block first atom: 21675
Blocpdb> 375 atoms in block 71
Block first atom: 22050
Blocpdb> 375 atoms in block 72
Block first atom: 22425
Blocpdb> 375 atoms in block 73
Block first atom: 22800
Blocpdb> 375 atoms in block 74
Block first atom: 23175
Blocpdb> 375 atoms in block 75
Block first atom: 23550
Blocpdb> 375 atoms in block 76
Block first atom: 23925
Blocpdb> 375 atoms in block 77
Block first atom: 24300
Blocpdb> 375 atoms in block 78
Block first atom: 24675
Blocpdb> 377 atoms in block 79
Block first atom: 25050
Blocpdb> 381 atoms in block 80
Block first atom: 25427
Blocpdb> 381 atoms in block 81
Block first atom: 25808
Blocpdb> 381 atoms in block 82
Block first atom: 26189
Blocpdb> 381 atoms in block 83
Block first atom: 26570
Blocpdb> 381 atoms in block 84
Block first atom: 26951
Blocpdb> 381 atoms in block 85
Block first atom: 27332
Blocpdb> 381 atoms in block 86
Block first atom: 27713
Blocpdb> 381 atoms in block 87
Block first atom: 28094
Blocpdb> 427 atoms in block 88
Block first atom: 28475
Blocpdb> 448 atoms in block 89
Block first atom: 28902
Blocpdb> 446 atoms in block 90
Block first atom: 29350
Blocpdb> 446 atoms in block 91
Block first atom: 29796
Blocpdb> 446 atoms in block 92
Block first atom: 30242
Blocpdb> 446 atoms in block 93
Block first atom: 30688
Blocpdb> 448 atoms in block 94
Block first atom: 31134
Blocpdb> 446 atoms in block 95
Block first atom: 31582
Blocpdb> 446 atoms in block 96
Block first atom: 32028
Blocpdb> 432 atoms in block 97
Block first atom: 32474
Blocpdb> 402 atoms in block 98
Block first atom: 32906
Blocpdb> 402 atoms in block 99
Block first atom: 33308
Blocpdb> 402 atoms in block 100
Block first atom: 33710
Blocpdb> 402 atoms in block 101
Block first atom: 34112
Blocpdb> 402 atoms in block 102
Block first atom: 34514
Blocpdb> 402 atoms in block 103
Block first atom: 34916
Blocpdb> 402 atoms in block 104
Block first atom: 35318
Blocpdb> 402 atoms in block 105
Block first atom: 35720
Blocpdb> 402 atoms in block 106
Block first atom: 36122
Blocpdb> 402 atoms in block 107
Block first atom: 36524
Blocpdb> 402 atoms in block 108
Block first atom: 36926
Blocpdb> 402 atoms in block 109
Block first atom: 37328
Blocpdb> 402 atoms in block 110
Block first atom: 37730
Blocpdb> 402 atoms in block 111
Block first atom: 38132
Blocpdb> 402 atoms in block 112
Block first atom: 38534
Blocpdb> 402 atoms in block 113
Block first atom: 38936
Blocpdb> 402 atoms in block 114
Block first atom: 39338
Blocpdb> 402 atoms in block 115
Block first atom: 39740
Blocpdb> 402 atoms in block 116
Block first atom: 40142
Blocpdb> 402 atoms in block 117
Block first atom: 40544
Blocpdb> 402 atoms in block 118
Block first atom: 40946
Blocpdb> 402 atoms in block 119
Block first atom: 41348
Blocpdb> 402 atoms in block 120
Block first atom: 41750
Blocpdb> 402 atoms in block 121
Block first atom: 42152
Blocpdb> 402 atoms in block 122
Block first atom: 42554
Blocpdb> 402 atoms in block 123
Block first atom: 42956
Blocpdb> 402 atoms in block 124
Block first atom: 43358
Blocpdb> 402 atoms in block 125
Block first atom: 43760
Blocpdb> 402 atoms in block 126
Block first atom: 44162
Blocpdb> 402 atoms in block 127
Block first atom: 44564
Blocpdb> 402 atoms in block 128
Block first atom: 44966
Blocpdb> 402 atoms in block 129
Block first atom: 45368
Blocpdb> 402 atoms in block 130
Block first atom: 45770
Blocpdb> 393 atoms in block 131
Block first atom: 46172
Blocpdb> 375 atoms in block 132
Block first atom: 46565
Blocpdb> 375 atoms in block 133
Block first atom: 46940
Blocpdb> 375 atoms in block 134
Block first atom: 47315
Blocpdb> 375 atoms in block 135
Block first atom: 47690
Blocpdb> 375 atoms in block 136
Block first atom: 48065
Blocpdb> 375 atoms in block 137
Block first atom: 48440
Blocpdb> 375 atoms in block 138
Block first atom: 48815
Blocpdb> 375 atoms in block 139
Block first atom: 49190
Blocpdb> 375 atoms in block 140
Block first atom: 49565
Blocpdb> 375 atoms in block 141
Block first atom: 49940
Blocpdb> 375 atoms in block 142
Block first atom: 50315
Blocpdb> 375 atoms in block 143
Block first atom: 50690
Blocpdb> 375 atoms in block 144
Block first atom: 51065
Blocpdb> 375 atoms in block 145
Block first atom: 51440
Blocpdb> 375 atoms in block 146
Block first atom: 51815
Blocpdb> 375 atoms in block 147
Block first atom: 52190
Blocpdb> 375 atoms in block 148
Block first atom: 52565
Blocpdb> 375 atoms in block 149
Block first atom: 52940
Blocpdb> 375 atoms in block 150
Block first atom: 53315
Blocpdb> 375 atoms in block 151
Block first atom: 53690
Blocpdb> 375 atoms in block 152
Block first atom: 54065
Blocpdb> 375 atoms in block 153
Block first atom: 54440
Blocpdb> 379 atoms in block 154
Block first atom: 54815
Blocpdb> 381 atoms in block 155
Block first atom: 55194
Blocpdb> 381 atoms in block 156
Block first atom: 55575
Blocpdb> 381 atoms in block 157
Block first atom: 55956
Blocpdb> 381 atoms in block 158
Block first atom: 56337
Blocpdb> 381 atoms in block 159
Block first atom: 56718
Blocpdb> 381 atoms in block 160
Block first atom: 57099
Blocpdb> 381 atoms in block 161
Block first atom: 57480
Blocpdb> 381 atoms in block 162
Block first atom: 57861
Blocpdb> 446 atoms in block 163
Block first atom: 58242
Blocpdb> 446 atoms in block 164
Block first atom: 58688
Blocpdb> 446 atoms in block 165
Block first atom: 59134
Blocpdb> 448 atoms in block 166
Block first atom: 59580
Blocpdb> 446 atoms in block 167
Block first atom: 60028
Blocpdb> 446 atoms in block 168
Block first atom: 60474
Blocpdb> 446 atoms in block 169
Block first atom: 60920
Blocpdb> 446 atoms in block 170
Block first atom: 61366
Blocpdb> 448 atoms in block 171
Block first atom: 61812
Blocpdb> 203 atoms in block 172
Block first atom: 62260
Blocpdb> 9 atoms in block 173
Block first atom: 62463
Blocpdb> 9 atoms in block 174
Block first atom: 62472
Blocpdb> 9 atoms in block 175
Block first atom: 62481
Blocpdb> 9 atoms in block 176
Block first atom: 62490
Blocpdb> 9 atoms in block 177
Block first atom: 62499
Blocpdb> 9 atoms in block 178
Block first atom: 62508
Blocpdb> 9 atoms in block 179
Block first atom: 62517
Blocpdb> 9 atoms in block 180
Block first atom: 62526
Blocpdb> 9 atoms in block 181
Block first atom: 62535
Blocpdb> 9 atoms in block 182
Block first atom: 62544
Blocpdb> 9 atoms in block 183
Block first atom: 62553
Blocpdb> 9 atoms in block 184
Block first atom: 62562
Blocpdb> 9 atoms in block 185
Block first atom: 62571
Blocpdb> 9 atoms in block 186
Block first atom: 62580
Blocpdb> 9 atoms in block 187
Block first atom: 62589
Blocpdb> 9 atoms in block 188
Block first atom: 62598
Blocpdb> 9 atoms in block 189
Block first atom: 62607
Blocpdb> 9 atoms in block 190
Block first atom: 62616
Blocpdb> 9 atoms in block 191
Block first atom: 62625
Blocpdb> 9 atoms in block 192
Block first atom: 62634
Blocpdb> 9 atoms in block 193
Block first atom: 62643
Blocpdb> 9 atoms in block 194
Block first atom: 62652
Blocpdb> 4 atoms in block 195
Block first atom: 62660
Blocpdb> 195 blocks.
Blocpdb> At most, 448 atoms in each of them.
Blocpdb> At least, 4 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.
%Diagrtb-Er> IRWKMX up to: 254467585 Maximum allowed is LRWORK= 32000000
%Diagrtb-Er> Not enough memory allowed for working arrays. Sorry.
Lower the number of blocks, the sizes of the largest ones...
Or recompile DIAGRTB with larger WORKing arrays.
STDERR:
STOP *Working arrays allocation error*
real 0m0.247s
user 0m0.236s
sys 0m0.010s
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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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