*** nompcdar12 ***
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 = 2607020544591891525.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 2607020544591891525.atom to be opened.
Openam> File opened: 2607020544591891525.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 = 5308
First residue number = 1
Last residue number = 1327
Number of atoms found = 40840
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 242.320703 +/- 29.633453 From: 166.439000 To: 323.318000
= 243.037248 +/- 29.789911 From: 160.172000 To: 325.203000
= 279.313377 +/- 49.297280 From: 154.812000 To: 382.338000
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 1.3808 % Filled.
Pdbmat> 14680576 non-zero elements.
Pdbmat> 1604229 atom-atom interactions.
Pdbmat> Number per atom= 78.56 +/- 24.78
Maximum number = 132
Minimum number = 8
Pdbmat> Matrix trace = 3.208458E+07
Pdbmat> Larger element = 520.047
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
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 = 2607020544591891525.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 11
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 2607020544591891525.atom to be opened.
Openam> file on opening on unit 11:
2607020544591891525.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 40840 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 11 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 72 atoms in block 1
Block first atom: 1
Blocpdb> 74 atoms in block 2
Block first atom: 73
Blocpdb> 74 atoms in block 3
Block first atom: 147
Blocpdb> 77 atoms in block 4
Block first atom: 221
Blocpdb> 80 atoms in block 5
Block first atom: 298
Blocpdb> 85 atoms in block 6
Block first atom: 378
Blocpdb> 75 atoms in block 7
Block first atom: 463
Blocpdb> 77 atoms in block 8
Block first atom: 538
Blocpdb> 91 atoms in block 9
Block first atom: 615
Blocpdb> 87 atoms in block 10
Block first atom: 706
Blocpdb> 78 atoms in block 11
Block first atom: 793
Blocpdb> 84 atoms in block 12
Block first atom: 871
Blocpdb> 83 atoms in block 13
Block first atom: 955
Blocpdb> 92 atoms in block 14
Block first atom: 1038
Blocpdb> 87 atoms in block 15
Block first atom: 1130
Blocpdb> 75 atoms in block 16
Block first atom: 1217
Blocpdb> 94 atoms in block 17
Block first atom: 1292
Blocpdb> 87 atoms in block 18
Block first atom: 1386
Blocpdb> 83 atoms in block 19
Block first atom: 1473
Blocpdb> 85 atoms in block 20
Block first atom: 1556
Blocpdb> 80 atoms in block 21
Block first atom: 1641
Blocpdb> 87 atoms in block 22
Block first atom: 1721
Blocpdb> 87 atoms in block 23
Block first atom: 1808
Blocpdb> 84 atoms in block 24
Block first atom: 1895
Blocpdb> 89 atoms in block 25
Block first atom: 1979
Blocpdb> 87 atoms in block 26
Block first atom: 2068
Blocpdb> 80 atoms in block 27
Block first atom: 2155
Blocpdb> 87 atoms in block 28
Block first atom: 2235
Blocpdb> 88 atoms in block 29
Block first atom: 2322
Blocpdb> 78 atoms in block 30
Block first atom: 2410
Blocpdb> 91 atoms in block 31
Block first atom: 2488
Blocpdb> 86 atoms in block 32
Block first atom: 2579
Blocpdb> 87 atoms in block 33
Block first atom: 2665
Blocpdb> 79 atoms in block 34
Block first atom: 2752
Blocpdb> 78 atoms in block 35
Block first atom: 2831
Blocpdb> 80 atoms in block 36
Block first atom: 2909
Blocpdb> 92 atoms in block 37
Block first atom: 2989
Blocpdb> 84 atoms in block 38
Block first atom: 3081
Blocpdb> 76 atoms in block 39
Block first atom: 3165
Blocpdb> 81 atoms in block 40
Block first atom: 3241
Blocpdb> 86 atoms in block 41
Block first atom: 3322
Blocpdb> 83 atoms in block 42
Block first atom: 3408
Blocpdb> 74 atoms in block 43
Block first atom: 3491
Blocpdb> 73 atoms in block 44
Block first atom: 3565
Blocpdb> 81 atoms in block 45
Block first atom: 3638
Blocpdb> 79 atoms in block 46
Block first atom: 3719
Blocpdb> 86 atoms in block 47
Block first atom: 3798
Blocpdb> 82 atoms in block 48
Block first atom: 3884
Blocpdb> 84 atoms in block 49
Block first atom: 3966
Blocpdb> 82 atoms in block 50
Block first atom: 4050
Blocpdb> 79 atoms in block 51
Block first atom: 4132
Blocpdb> 76 atoms in block 52
Block first atom: 4211
Blocpdb> 81 atoms in block 53
Block first atom: 4287
Blocpdb> 80 atoms in block 54
Block first atom: 4368
Blocpdb> 77 atoms in block 55
Block first atom: 4448
Blocpdb> 83 atoms in block 56
Block first atom: 4525
Blocpdb> 83 atoms in block 57
Block first atom: 4608
Blocpdb> 87 atoms in block 58
Block first atom: 4691
Blocpdb> 80 atoms in block 59
Block first atom: 4778
Blocpdb> 83 atoms in block 60
Block first atom: 4858
Blocpdb> 82 atoms in block 61
Block first atom: 4941
Blocpdb> 80 atoms in block 62
Block first atom: 5023
Blocpdb> 85 atoms in block 63
Block first atom: 5103
Blocpdb> 78 atoms in block 64
Block first atom: 5188
Blocpdb> 78 atoms in block 65
Block first atom: 5266
Blocpdb> 93 atoms in block 66
Block first atom: 5344
Blocpdb> 92 atoms in block 67
Block first atom: 5437
Blocpdb> 94 atoms in block 68
Block first atom: 5529
Blocpdb> 96 atoms in block 69
Block first atom: 5623
Blocpdb> 74 atoms in block 70
Block first atom: 5719
Blocpdb> 85 atoms in block 71
Block first atom: 5793
Blocpdb> 91 atoms in block 72
Block first atom: 5878
Blocpdb> 72 atoms in block 73
Block first atom: 5969
Blocpdb> 72 atoms in block 74
Block first atom: 6041
Blocpdb> 83 atoms in block 75
Block first atom: 6113
Blocpdb> 91 atoms in block 76
Block first atom: 6196
Blocpdb> 87 atoms in block 77
Block first atom: 6287
Blocpdb> 100 atoms in block 78
Block first atom: 6374
Blocpdb> 95 atoms in block 79
Block first atom: 6474
Blocpdb> 87 atoms in block 80
Block first atom: 6569
Blocpdb> 90 atoms in block 81
Block first atom: 6656
Blocpdb> 93 atoms in block 82
Block first atom: 6746
Blocpdb> 93 atoms in block 83
Block first atom: 6839
Blocpdb> 81 atoms in block 84
Block first atom: 6932
Blocpdb> 102 atoms in block 85
Block first atom: 7013
Blocpdb> 83 atoms in block 86
Block first atom: 7115
Blocpdb> 87 atoms in block 87
Block first atom: 7198
Blocpdb> 77 atoms in block 88
Block first atom: 7285
Blocpdb> 70 atoms in block 89
Block first atom: 7362
Blocpdb> 99 atoms in block 90
Block first atom: 7432
Blocpdb> 90 atoms in block 91
Block first atom: 7531
Blocpdb> 83 atoms in block 92
Block first atom: 7621
Blocpdb> 94 atoms in block 93
Block first atom: 7704
Blocpdb> 88 atoms in block 94
Block first atom: 7798
Blocpdb> 87 atoms in block 95
Block first atom: 7886
Blocpdb> 85 atoms in block 96
Block first atom: 7973
Blocpdb> 88 atoms in block 97
Block first atom: 8058
Blocpdb> 101 atoms in block 98
Block first atom: 8146
Blocpdb> 92 atoms in block 99
Block first atom: 8247
Blocpdb> 95 atoms in block 100
Block first atom: 8339
Blocpdb> 83 atoms in block 101
Block first atom: 8434
Blocpdb> 83 atoms in block 102
Block first atom: 8517
Blocpdb> 108 atoms in block 103
Block first atom: 8600
Blocpdb> 82 atoms in block 104
Block first atom: 8708
Blocpdb> 82 atoms in block 105
Block first atom: 8790
Blocpdb> 94 atoms in block 106
Block first atom: 8872
Blocpdb> 96 atoms in block 107
Block first atom: 8966
Blocpdb> 83 atoms in block 108
Block first atom: 9062
Blocpdb> 99 atoms in block 109
Block first atom: 9145
Blocpdb> 94 atoms in block 110
Block first atom: 9244
Blocpdb> 87 atoms in block 111
Block first atom: 9338
Blocpdb> 77 atoms in block 112
Block first atom: 9425
Blocpdb> 89 atoms in block 113
Block first atom: 9502
Blocpdb> 79 atoms in block 114
Block first atom: 9591
Blocpdb> 87 atoms in block 115
Block first atom: 9670
Blocpdb> 86 atoms in block 116
Block first atom: 9757
Blocpdb> 91 atoms in block 117
Block first atom: 9843
Blocpdb> 73 atoms in block 118
Block first atom: 9934
Blocpdb> 71 atoms in block 119
Block first atom: 10007
Blocpdb> 81 atoms in block 120
Block first atom: 10078
Blocpdb> 52 atoms in block 121
Block first atom: 10159
Blocpdb> 72 atoms in block 122
Block first atom: 10211
Blocpdb> 74 atoms in block 123
Block first atom: 10283
Blocpdb> 74 atoms in block 124
Block first atom: 10357
Blocpdb> 77 atoms in block 125
Block first atom: 10431
Blocpdb> 80 atoms in block 126
Block first atom: 10508
Blocpdb> 85 atoms in block 127
Block first atom: 10588
Blocpdb> 75 atoms in block 128
Block first atom: 10673
Blocpdb> 77 atoms in block 129
Block first atom: 10748
Blocpdb> 91 atoms in block 130
Block first atom: 10825
Blocpdb> 87 atoms in block 131
Block first atom: 10916
Blocpdb> 78 atoms in block 132
Block first atom: 11003
Blocpdb> 84 atoms in block 133
Block first atom: 11081
Blocpdb> 83 atoms in block 134
Block first atom: 11165
Blocpdb> 92 atoms in block 135
Block first atom: 11248
Blocpdb> 87 atoms in block 136
Block first atom: 11340
Blocpdb> 75 atoms in block 137
Block first atom: 11427
Blocpdb> 94 atoms in block 138
Block first atom: 11502
Blocpdb> 87 atoms in block 139
Block first atom: 11596
Blocpdb> 83 atoms in block 140
Block first atom: 11683
Blocpdb> 85 atoms in block 141
Block first atom: 11766
Blocpdb> 80 atoms in block 142
Block first atom: 11851
Blocpdb> 87 atoms in block 143
Block first atom: 11931
Blocpdb> 87 atoms in block 144
Block first atom: 12018
Blocpdb> 84 atoms in block 145
Block first atom: 12105
Blocpdb> 89 atoms in block 146
Block first atom: 12189
Blocpdb> 87 atoms in block 147
Block first atom: 12278
Blocpdb> 80 atoms in block 148
Block first atom: 12365
Blocpdb> 87 atoms in block 149
Block first atom: 12445
Blocpdb> 88 atoms in block 150
Block first atom: 12532
Blocpdb> 78 atoms in block 151
Block first atom: 12620
Blocpdb> 91 atoms in block 152
Block first atom: 12698
Blocpdb> 86 atoms in block 153
Block first atom: 12789
Blocpdb> 87 atoms in block 154
Block first atom: 12875
Blocpdb> 79 atoms in block 155
Block first atom: 12962
Blocpdb> 78 atoms in block 156
Block first atom: 13041
Blocpdb> 80 atoms in block 157
Block first atom: 13119
Blocpdb> 92 atoms in block 158
Block first atom: 13199
Blocpdb> 84 atoms in block 159
Block first atom: 13291
Blocpdb> 76 atoms in block 160
Block first atom: 13375
Blocpdb> 81 atoms in block 161
Block first atom: 13451
Blocpdb> 86 atoms in block 162
Block first atom: 13532
Blocpdb> 83 atoms in block 163
Block first atom: 13618
Blocpdb> 74 atoms in block 164
Block first atom: 13701
Blocpdb> 73 atoms in block 165
Block first atom: 13775
Blocpdb> 81 atoms in block 166
Block first atom: 13848
Blocpdb> 79 atoms in block 167
Block first atom: 13929
Blocpdb> 86 atoms in block 168
Block first atom: 14008
Blocpdb> 82 atoms in block 169
Block first atom: 14094
Blocpdb> 84 atoms in block 170
Block first atom: 14176
Blocpdb> 82 atoms in block 171
Block first atom: 14260
Blocpdb> 79 atoms in block 172
Block first atom: 14342
Blocpdb> 76 atoms in block 173
Block first atom: 14421
Blocpdb> 81 atoms in block 174
Block first atom: 14497
Blocpdb> 80 atoms in block 175
Block first atom: 14578
Blocpdb> 77 atoms in block 176
Block first atom: 14658
Blocpdb> 83 atoms in block 177
Block first atom: 14735
Blocpdb> 83 atoms in block 178
Block first atom: 14818
Blocpdb> 87 atoms in block 179
Block first atom: 14901
Blocpdb> 80 atoms in block 180
Block first atom: 14988
Blocpdb> 83 atoms in block 181
Block first atom: 15068
Blocpdb> 82 atoms in block 182
Block first atom: 15151
Blocpdb> 80 atoms in block 183
Block first atom: 15233
Blocpdb> 85 atoms in block 184
Block first atom: 15313
Blocpdb> 78 atoms in block 185
Block first atom: 15398
Blocpdb> 78 atoms in block 186
Block first atom: 15476
Blocpdb> 93 atoms in block 187
Block first atom: 15554
Blocpdb> 92 atoms in block 188
Block first atom: 15647
Blocpdb> 94 atoms in block 189
Block first atom: 15739
Blocpdb> 96 atoms in block 190
Block first atom: 15833
Blocpdb> 74 atoms in block 191
Block first atom: 15929
Blocpdb> 85 atoms in block 192
Block first atom: 16003
Blocpdb> 91 atoms in block 193
Block first atom: 16088
Blocpdb> 72 atoms in block 194
Block first atom: 16179
Blocpdb> 72 atoms in block 195
Block first atom: 16251
Blocpdb> 83 atoms in block 196
Block first atom: 16323
Blocpdb> 91 atoms in block 197
Block first atom: 16406
Blocpdb> 87 atoms in block 198
Block first atom: 16497
Blocpdb> 100 atoms in block 199
Block first atom: 16584
Blocpdb> 95 atoms in block 200
Block first atom: 16684
Blocpdb> 87 atoms in block 201
Block first atom: 16779
Blocpdb> 90 atoms in block 202
Block first atom: 16866
Blocpdb> 93 atoms in block 203
Block first atom: 16956
Blocpdb> 93 atoms in block 204
Block first atom: 17049
Blocpdb> 81 atoms in block 205
Block first atom: 17142
Blocpdb> 102 atoms in block 206
Block first atom: 17223
Blocpdb> 83 atoms in block 207
Block first atom: 17325
Blocpdb> 87 atoms in block 208
Block first atom: 17408
Blocpdb> 77 atoms in block 209
Block first atom: 17495
Blocpdb> 70 atoms in block 210
Block first atom: 17572
Blocpdb> 99 atoms in block 211
Block first atom: 17642
Blocpdb> 90 atoms in block 212
Block first atom: 17741
Blocpdb> 83 atoms in block 213
Block first atom: 17831
Blocpdb> 94 atoms in block 214
Block first atom: 17914
Blocpdb> 88 atoms in block 215
Block first atom: 18008
Blocpdb> 87 atoms in block 216
Block first atom: 18096
Blocpdb> 85 atoms in block 217
Block first atom: 18183
Blocpdb> 88 atoms in block 218
Block first atom: 18268
Blocpdb> 101 atoms in block 219
Block first atom: 18356
Blocpdb> 92 atoms in block 220
Block first atom: 18457
Blocpdb> 95 atoms in block 221
Block first atom: 18549
Blocpdb> 83 atoms in block 222
Block first atom: 18644
Blocpdb> 83 atoms in block 223
Block first atom: 18727
Blocpdb> 108 atoms in block 224
Block first atom: 18810
Blocpdb> 82 atoms in block 225
Block first atom: 18918
Blocpdb> 82 atoms in block 226
Block first atom: 19000
Blocpdb> 94 atoms in block 227
Block first atom: 19082
Blocpdb> 96 atoms in block 228
Block first atom: 19176
Blocpdb> 83 atoms in block 229
Block first atom: 19272
Blocpdb> 99 atoms in block 230
Block first atom: 19355
Blocpdb> 94 atoms in block 231
Block first atom: 19454
Blocpdb> 87 atoms in block 232
Block first atom: 19548
Blocpdb> 77 atoms in block 233
Block first atom: 19635
Blocpdb> 89 atoms in block 234
Block first atom: 19712
Blocpdb> 79 atoms in block 235
Block first atom: 19801
Blocpdb> 87 atoms in block 236
Block first atom: 19880
Blocpdb> 86 atoms in block 237
Block first atom: 19967
Blocpdb> 91 atoms in block 238
Block first atom: 20053
Blocpdb> 73 atoms in block 239
Block first atom: 20144
Blocpdb> 71 atoms in block 240
Block first atom: 20217
Blocpdb> 81 atoms in block 241
Block first atom: 20288
Blocpdb> 52 atoms in block 242
Block first atom: 20369
Blocpdb> 72 atoms in block 243
Block first atom: 20421
Blocpdb> 74 atoms in block 244
Block first atom: 20493
Blocpdb> 74 atoms in block 245
Block first atom: 20567
Blocpdb> 77 atoms in block 246
Block first atom: 20641
Blocpdb> 80 atoms in block 247
Block first atom: 20718
Blocpdb> 85 atoms in block 248
Block first atom: 20798
Blocpdb> 75 atoms in block 249
Block first atom: 20883
Blocpdb> 77 atoms in block 250
Block first atom: 20958
Blocpdb> 91 atoms in block 251
Block first atom: 21035
Blocpdb> 87 atoms in block 252
Block first atom: 21126
Blocpdb> 78 atoms in block 253
Block first atom: 21213
Blocpdb> 84 atoms in block 254
Block first atom: 21291
Blocpdb> 83 atoms in block 255
Block first atom: 21375
Blocpdb> 92 atoms in block 256
Block first atom: 21458
Blocpdb> 87 atoms in block 257
Block first atom: 21550
Blocpdb> 75 atoms in block 258
Block first atom: 21637
Blocpdb> 94 atoms in block 259
Block first atom: 21712
Blocpdb> 87 atoms in block 260
Block first atom: 21806
Blocpdb> 83 atoms in block 261
Block first atom: 21893
Blocpdb> 85 atoms in block 262
Block first atom: 21976
Blocpdb> 80 atoms in block 263
Block first atom: 22061
Blocpdb> 87 atoms in block 264
Block first atom: 22141
Blocpdb> 87 atoms in block 265
Block first atom: 22228
Blocpdb> 84 atoms in block 266
Block first atom: 22315
Blocpdb> 89 atoms in block 267
Block first atom: 22399
Blocpdb> 87 atoms in block 268
Block first atom: 22488
Blocpdb> 80 atoms in block 269
Block first atom: 22575
Blocpdb> 87 atoms in block 270
Block first atom: 22655
Blocpdb> 88 atoms in block 271
Block first atom: 22742
Blocpdb> 78 atoms in block 272
Block first atom: 22830
Blocpdb> 91 atoms in block 273
Block first atom: 22908
Blocpdb> 86 atoms in block 274
Block first atom: 22999
Blocpdb> 87 atoms in block 275
Block first atom: 23085
Blocpdb> 79 atoms in block 276
Block first atom: 23172
Blocpdb> 78 atoms in block 277
Block first atom: 23251
Blocpdb> 80 atoms in block 278
Block first atom: 23329
Blocpdb> 92 atoms in block 279
Block first atom: 23409
Blocpdb> 84 atoms in block 280
Block first atom: 23501
Blocpdb> 76 atoms in block 281
Block first atom: 23585
Blocpdb> 81 atoms in block 282
Block first atom: 23661
Blocpdb> 86 atoms in block 283
Block first atom: 23742
Blocpdb> 83 atoms in block 284
Block first atom: 23828
Blocpdb> 74 atoms in block 285
Block first atom: 23911
Blocpdb> 73 atoms in block 286
Block first atom: 23985
Blocpdb> 81 atoms in block 287
Block first atom: 24058
Blocpdb> 79 atoms in block 288
Block first atom: 24139
Blocpdb> 86 atoms in block 289
Block first atom: 24218
Blocpdb> 82 atoms in block 290
Block first atom: 24304
Blocpdb> 84 atoms in block 291
Block first atom: 24386
Blocpdb> 82 atoms in block 292
Block first atom: 24470
Blocpdb> 79 atoms in block 293
Block first atom: 24552
Blocpdb> 76 atoms in block 294
Block first atom: 24631
Blocpdb> 81 atoms in block 295
Block first atom: 24707
Blocpdb> 80 atoms in block 296
Block first atom: 24788
Blocpdb> 77 atoms in block 297
Block first atom: 24868
Blocpdb> 83 atoms in block 298
Block first atom: 24945
Blocpdb> 83 atoms in block 299
Block first atom: 25028
Blocpdb> 87 atoms in block 300
Block first atom: 25111
Blocpdb> 80 atoms in block 301
Block first atom: 25198
Blocpdb> 83 atoms in block 302
Block first atom: 25278
Blocpdb> 82 atoms in block 303
Block first atom: 25361
Blocpdb> 80 atoms in block 304
Block first atom: 25443
Blocpdb> 85 atoms in block 305
Block first atom: 25523
Blocpdb> 78 atoms in block 306
Block first atom: 25608
Blocpdb> 78 atoms in block 307
Block first atom: 25686
Blocpdb> 93 atoms in block 308
Block first atom: 25764
Blocpdb> 92 atoms in block 309
Block first atom: 25857
Blocpdb> 94 atoms in block 310
Block first atom: 25949
Blocpdb> 96 atoms in block 311
Block first atom: 26043
Blocpdb> 74 atoms in block 312
Block first atom: 26139
Blocpdb> 85 atoms in block 313
Block first atom: 26213
Blocpdb> 91 atoms in block 314
Block first atom: 26298
Blocpdb> 72 atoms in block 315
Block first atom: 26389
Blocpdb> 72 atoms in block 316
Block first atom: 26461
Blocpdb> 83 atoms in block 317
Block first atom: 26533
Blocpdb> 91 atoms in block 318
Block first atom: 26616
Blocpdb> 87 atoms in block 319
Block first atom: 26707
Blocpdb> 100 atoms in block 320
Block first atom: 26794
Blocpdb> 95 atoms in block 321
Block first atom: 26894
Blocpdb> 87 atoms in block 322
Block first atom: 26989
Blocpdb> 90 atoms in block 323
Block first atom: 27076
Blocpdb> 93 atoms in block 324
Block first atom: 27166
Blocpdb> 93 atoms in block 325
Block first atom: 27259
Blocpdb> 81 atoms in block 326
Block first atom: 27352
Blocpdb> 102 atoms in block 327
Block first atom: 27433
Blocpdb> 83 atoms in block 328
Block first atom: 27535
Blocpdb> 87 atoms in block 329
Block first atom: 27618
Blocpdb> 77 atoms in block 330
Block first atom: 27705
Blocpdb> 70 atoms in block 331
Block first atom: 27782
Blocpdb> 99 atoms in block 332
Block first atom: 27852
Blocpdb> 90 atoms in block 333
Block first atom: 27951
Blocpdb> 83 atoms in block 334
Block first atom: 28041
Blocpdb> 94 atoms in block 335
Block first atom: 28124
Blocpdb> 88 atoms in block 336
Block first atom: 28218
Blocpdb> 87 atoms in block 337
Block first atom: 28306
Blocpdb> 85 atoms in block 338
Block first atom: 28393
Blocpdb> 88 atoms in block 339
Block first atom: 28478
Blocpdb> 101 atoms in block 340
Block first atom: 28566
Blocpdb> 92 atoms in block 341
Block first atom: 28667
Blocpdb> 95 atoms in block 342
Block first atom: 28759
Blocpdb> 83 atoms in block 343
Block first atom: 28854
Blocpdb> 83 atoms in block 344
Block first atom: 28937
Blocpdb> 108 atoms in block 345
Block first atom: 29020
Blocpdb> 82 atoms in block 346
Block first atom: 29128
Blocpdb> 82 atoms in block 347
Block first atom: 29210
Blocpdb> 94 atoms in block 348
Block first atom: 29292
Blocpdb> 96 atoms in block 349
Block first atom: 29386
Blocpdb> 83 atoms in block 350
Block first atom: 29482
Blocpdb> 99 atoms in block 351
Block first atom: 29565
Blocpdb> 94 atoms in block 352
Block first atom: 29664
Blocpdb> 87 atoms in block 353
Block first atom: 29758
Blocpdb> 77 atoms in block 354
Block first atom: 29845
Blocpdb> 89 atoms in block 355
Block first atom: 29922
Blocpdb> 79 atoms in block 356
Block first atom: 30011
Blocpdb> 87 atoms in block 357
Block first atom: 30090
Blocpdb> 86 atoms in block 358
Block first atom: 30177
Blocpdb> 91 atoms in block 359
Block first atom: 30263
Blocpdb> 73 atoms in block 360
Block first atom: 30354
Blocpdb> 71 atoms in block 361
Block first atom: 30427
Blocpdb> 81 atoms in block 362
Block first atom: 30498
Blocpdb> 52 atoms in block 363
Block first atom: 30579
Blocpdb> 72 atoms in block 364
Block first atom: 30631
Blocpdb> 74 atoms in block 365
Block first atom: 30703
Blocpdb> 74 atoms in block 366
Block first atom: 30777
Blocpdb> 77 atoms in block 367
Block first atom: 30851
Blocpdb> 80 atoms in block 368
Block first atom: 30928
Blocpdb> 85 atoms in block 369
Block first atom: 31008
Blocpdb> 75 atoms in block 370
Block first atom: 31093
Blocpdb> 77 atoms in block 371
Block first atom: 31168
Blocpdb> 91 atoms in block 372
Block first atom: 31245
Blocpdb> 87 atoms in block 373
Block first atom: 31336
Blocpdb> 78 atoms in block 374
Block first atom: 31423
Blocpdb> 84 atoms in block 375
Block first atom: 31501
Blocpdb> 83 atoms in block 376
Block first atom: 31585
Blocpdb> 92 atoms in block 377
Block first atom: 31668
Blocpdb> 87 atoms in block 378
Block first atom: 31760
Blocpdb> 75 atoms in block 379
Block first atom: 31847
Blocpdb> 94 atoms in block 380
Block first atom: 31922
Blocpdb> 87 atoms in block 381
Block first atom: 32016
Blocpdb> 83 atoms in block 382
Block first atom: 32103
Blocpdb> 85 atoms in block 383
Block first atom: 32186
Blocpdb> 80 atoms in block 384
Block first atom: 32271
Blocpdb> 87 atoms in block 385
Block first atom: 32351
Blocpdb> 87 atoms in block 386
Block first atom: 32438
Blocpdb> 84 atoms in block 387
Block first atom: 32525
Blocpdb> 89 atoms in block 388
Block first atom: 32609
Blocpdb> 87 atoms in block 389
Block first atom: 32698
Blocpdb> 80 atoms in block 390
Block first atom: 32785
Blocpdb> 87 atoms in block 391
Block first atom: 32865
Blocpdb> 88 atoms in block 392
Block first atom: 32952
Blocpdb> 78 atoms in block 393
Block first atom: 33040
Blocpdb> 91 atoms in block 394
Block first atom: 33118
Blocpdb> 86 atoms in block 395
Block first atom: 33209
Blocpdb> 87 atoms in block 396
Block first atom: 33295
Blocpdb> 79 atoms in block 397
Block first atom: 33382
Blocpdb> 78 atoms in block 398
Block first atom: 33461
Blocpdb> 80 atoms in block 399
Block first atom: 33539
Blocpdb> 92 atoms in block 400
Block first atom: 33619
Blocpdb> 84 atoms in block 401
Block first atom: 33711
Blocpdb> 76 atoms in block 402
Block first atom: 33795
Blocpdb> 81 atoms in block 403
Block first atom: 33871
Blocpdb> 86 atoms in block 404
Block first atom: 33952
Blocpdb> 83 atoms in block 405
Block first atom: 34038
Blocpdb> 74 atoms in block 406
Block first atom: 34121
Blocpdb> 73 atoms in block 407
Block first atom: 34195
Blocpdb> 81 atoms in block 408
Block first atom: 34268
Blocpdb> 79 atoms in block 409
Block first atom: 34349
Blocpdb> 86 atoms in block 410
Block first atom: 34428
Blocpdb> 82 atoms in block 411
Block first atom: 34514
Blocpdb> 84 atoms in block 412
Block first atom: 34596
Blocpdb> 82 atoms in block 413
Block first atom: 34680
Blocpdb> 79 atoms in block 414
Block first atom: 34762
Blocpdb> 76 atoms in block 415
Block first atom: 34841
Blocpdb> 81 atoms in block 416
Block first atom: 34917
Blocpdb> 80 atoms in block 417
Block first atom: 34998
Blocpdb> 77 atoms in block 418
Block first atom: 35078
Blocpdb> 83 atoms in block 419
Block first atom: 35155
Blocpdb> 83 atoms in block 420
Block first atom: 35238
Blocpdb> 87 atoms in block 421
Block first atom: 35321
Blocpdb> 80 atoms in block 422
Block first atom: 35408
Blocpdb> 83 atoms in block 423
Block first atom: 35488
Blocpdb> 82 atoms in block 424
Block first atom: 35571
Blocpdb> 80 atoms in block 425
Block first atom: 35653
Blocpdb> 85 atoms in block 426
Block first atom: 35733
Blocpdb> 78 atoms in block 427
Block first atom: 35818
Blocpdb> 78 atoms in block 428
Block first atom: 35896
Blocpdb> 93 atoms in block 429
Block first atom: 35974
Blocpdb> 92 atoms in block 430
Block first atom: 36067
Blocpdb> 94 atoms in block 431
Block first atom: 36159
Blocpdb> 96 atoms in block 432
Block first atom: 36253
Blocpdb> 74 atoms in block 433
Block first atom: 36349
Blocpdb> 85 atoms in block 434
Block first atom: 36423
Blocpdb> 91 atoms in block 435
Block first atom: 36508
Blocpdb> 72 atoms in block 436
Block first atom: 36599
Blocpdb> 72 atoms in block 437
Block first atom: 36671
Blocpdb> 83 atoms in block 438
Block first atom: 36743
Blocpdb> 91 atoms in block 439
Block first atom: 36826
Blocpdb> 87 atoms in block 440
Block first atom: 36917
Blocpdb> 100 atoms in block 441
Block first atom: 37004
Blocpdb> 95 atoms in block 442
Block first atom: 37104
Blocpdb> 87 atoms in block 443
Block first atom: 37199
Blocpdb> 90 atoms in block 444
Block first atom: 37286
Blocpdb> 93 atoms in block 445
Block first atom: 37376
Blocpdb> 93 atoms in block 446
Block first atom: 37469
Blocpdb> 81 atoms in block 447
Block first atom: 37562
Blocpdb> 102 atoms in block 448
Block first atom: 37643
Blocpdb> 83 atoms in block 449
Block first atom: 37745
Blocpdb> 87 atoms in block 450
Block first atom: 37828
Blocpdb> 77 atoms in block 451
Block first atom: 37915
Blocpdb> 70 atoms in block 452
Block first atom: 37992
Blocpdb> 99 atoms in block 453
Block first atom: 38062
Blocpdb> 90 atoms in block 454
Block first atom: 38161
Blocpdb> 83 atoms in block 455
Block first atom: 38251
Blocpdb> 94 atoms in block 456
Block first atom: 38334
Blocpdb> 88 atoms in block 457
Block first atom: 38428
Blocpdb> 87 atoms in block 458
Block first atom: 38516
Blocpdb> 85 atoms in block 459
Block first atom: 38603
Blocpdb> 88 atoms in block 460
Block first atom: 38688
Blocpdb> 101 atoms in block 461
Block first atom: 38776
Blocpdb> 92 atoms in block 462
Block first atom: 38877
Blocpdb> 95 atoms in block 463
Block first atom: 38969
Blocpdb> 83 atoms in block 464
Block first atom: 39064
Blocpdb> 83 atoms in block 465
Block first atom: 39147
Blocpdb> 108 atoms in block 466
Block first atom: 39230
Blocpdb> 82 atoms in block 467
Block first atom: 39338
Blocpdb> 82 atoms in block 468
Block first atom: 39420
Blocpdb> 94 atoms in block 469
Block first atom: 39502
Blocpdb> 96 atoms in block 470
Block first atom: 39596
Blocpdb> 83 atoms in block 471
Block first atom: 39692
Blocpdb> 99 atoms in block 472
Block first atom: 39775
Blocpdb> 94 atoms in block 473
Block first atom: 39874
Blocpdb> 87 atoms in block 474
Block first atom: 39968
Blocpdb> 77 atoms in block 475
Block first atom: 40055
Blocpdb> 89 atoms in block 476
Block first atom: 40132
Blocpdb> 79 atoms in block 477
Block first atom: 40221
Blocpdb> 87 atoms in block 478
Block first atom: 40300
Blocpdb> 86 atoms in block 479
Block first atom: 40387
Blocpdb> 91 atoms in block 480
Block first atom: 40473
Blocpdb> 73 atoms in block 481
Block first atom: 40564
Blocpdb> 71 atoms in block 482
Block first atom: 40637
Blocpdb> 81 atoms in block 483
Block first atom: 40708
Blocpdb> 52 atoms in block 484
Block first atom: 40788
Blocpdb> 484 blocks.
Blocpdb> At most, 108 atoms in each of them.
Blocpdb> At least, 52 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: 39801457 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 0m0.204s
user 0m0.184s
sys 0m0.019s
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: april 24th, 2026.
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