*** 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 = 2607020540331891028.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 2607020540331891028.atom to be opened.
Openam> File opened: 2607020540331891028.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 = 2607020540331891028.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 12
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 2607020540331891028.atom to be opened.
Openam> file on opening on unit 11:
2607020540331891028.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> 12 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 83 atoms in block 1
Block first atom: 1
Blocpdb> 77 atoms in block 2
Block first atom: 84
Blocpdb> 82 atoms in block 3
Block first atom: 161
Blocpdb> 84 atoms in block 4
Block first atom: 243
Blocpdb> 89 atoms in block 5
Block first atom: 327
Blocpdb> 88 atoms in block 6
Block first atom: 416
Blocpdb> 86 atoms in block 7
Block first atom: 504
Blocpdb> 94 atoms in block 8
Block first atom: 590
Blocpdb> 98 atoms in block 9
Block first atom: 684
Blocpdb> 82 atoms in block 10
Block first atom: 782
Blocpdb> 91 atoms in block 11
Block first atom: 864
Blocpdb> 91 atoms in block 12
Block first atom: 955
Blocpdb> 102 atoms in block 13
Block first atom: 1046
Blocpdb> 91 atoms in block 14
Block first atom: 1148
Blocpdb> 90 atoms in block 15
Block first atom: 1239
Blocpdb> 97 atoms in block 16
Block first atom: 1329
Blocpdb> 99 atoms in block 17
Block first atom: 1426
Blocpdb> 84 atoms in block 18
Block first atom: 1525
Blocpdb> 89 atoms in block 19
Block first atom: 1609
Blocpdb> 96 atoms in block 20
Block first atom: 1698
Blocpdb> 95 atoms in block 21
Block first atom: 1794
Blocpdb> 90 atoms in block 22
Block first atom: 1889
Blocpdb> 94 atoms in block 23
Block first atom: 1979
Blocpdb> 95 atoms in block 24
Block first atom: 2073
Blocpdb> 94 atoms in block 25
Block first atom: 2168
Blocpdb> 89 atoms in block 26
Block first atom: 2262
Blocpdb> 93 atoms in block 27
Block first atom: 2351
Blocpdb> 92 atoms in block 28
Block first atom: 2444
Blocpdb> 98 atoms in block 29
Block first atom: 2536
Blocpdb> 100 atoms in block 30
Block first atom: 2634
Blocpdb> 81 atoms in block 31
Block first atom: 2734
Blocpdb> 86 atoms in block 32
Block first atom: 2815
Blocpdb> 88 atoms in block 33
Block first atom: 2901
Blocpdb> 100 atoms in block 34
Block first atom: 2989
Blocpdb> 91 atoms in block 35
Block first atom: 3089
Blocpdb> 83 atoms in block 36
Block first atom: 3180
Blocpdb> 95 atoms in block 37
Block first atom: 3263
Blocpdb> 91 atoms in block 38
Block first atom: 3358
Blocpdb> 82 atoms in block 39
Block first atom: 3449
Blocpdb> 86 atoms in block 40
Block first atom: 3531
Blocpdb> 83 atoms in block 41
Block first atom: 3617
Blocpdb> 82 atoms in block 42
Block first atom: 3700
Blocpdb> 91 atoms in block 43
Block first atom: 3782
Blocpdb> 93 atoms in block 44
Block first atom: 3873
Blocpdb> 91 atoms in block 45
Block first atom: 3966
Blocpdb> 91 atoms in block 46
Block first atom: 4057
Blocpdb> 86 atoms in block 47
Block first atom: 4148
Blocpdb> 86 atoms in block 48
Block first atom: 4234
Blocpdb> 89 atoms in block 49
Block first atom: 4320
Blocpdb> 80 atoms in block 50
Block first atom: 4409
Blocpdb> 94 atoms in block 51
Block first atom: 4489
Blocpdb> 83 atoms in block 52
Block first atom: 4583
Blocpdb> 93 atoms in block 53
Block first atom: 4666
Blocpdb> 89 atoms in block 54
Block first atom: 4759
Blocpdb> 93 atoms in block 55
Block first atom: 4848
Blocpdb> 86 atoms in block 56
Block first atom: 4941
Blocpdb> 90 atoms in block 57
Block first atom: 5027
Blocpdb> 85 atoms in block 58
Block first atom: 5117
Blocpdb> 84 atoms in block 59
Block first atom: 5202
Blocpdb> 96 atoms in block 60
Block first atom: 5286
Blocpdb> 110 atoms in block 61
Block first atom: 5382
Blocpdb> 103 atoms in block 62
Block first atom: 5492
Blocpdb> 95 atoms in block 63
Block first atom: 5595
Blocpdb> 91 atoms in block 64
Block first atom: 5690
Blocpdb> 91 atoms in block 65
Block first atom: 5781
Blocpdb> 97 atoms in block 66
Block first atom: 5872
Blocpdb> 81 atoms in block 67
Block first atom: 5969
Blocpdb> 72 atoms in block 68
Block first atom: 6050
Blocpdb> 98 atoms in block 69
Block first atom: 6122
Blocpdb> 103 atoms in block 70
Block first atom: 6220
Blocpdb> 100 atoms in block 71
Block first atom: 6323
Blocpdb> 105 atoms in block 72
Block first atom: 6423
Blocpdb> 93 atoms in block 73
Block first atom: 6528
Blocpdb> 95 atoms in block 74
Block first atom: 6621
Blocpdb> 105 atoms in block 75
Block first atom: 6716
Blocpdb> 103 atoms in block 76
Block first atom: 6821
Blocpdb> 89 atoms in block 77
Block first atom: 6924
Blocpdb> 109 atoms in block 78
Block first atom: 7013
Blocpdb> 95 atoms in block 79
Block first atom: 7122
Blocpdb> 84 atoms in block 80
Block first atom: 7217
Blocpdb> 86 atoms in block 81
Block first atom: 7301
Blocpdb> 87 atoms in block 82
Block first atom: 7387
Blocpdb> 108 atoms in block 83
Block first atom: 7474
Blocpdb> 90 atoms in block 84
Block first atom: 7582
Blocpdb> 104 atoms in block 85
Block first atom: 7672
Blocpdb> 93 atoms in block 86
Block first atom: 7776
Blocpdb> 93 atoms in block 87
Block first atom: 7869
Blocpdb> 96 atoms in block 88
Block first atom: 7962
Blocpdb> 96 atoms in block 89
Block first atom: 8058
Blocpdb> 109 atoms in block 90
Block first atom: 8154
Blocpdb> 101 atoms in block 91
Block first atom: 8263
Blocpdb> 97 atoms in block 92
Block first atom: 8364
Blocpdb> 97 atoms in block 93
Block first atom: 8461
Blocpdb> 104 atoms in block 94
Block first atom: 8558
Blocpdb> 99 atoms in block 95
Block first atom: 8662
Blocpdb> 90 atoms in block 96
Block first atom: 8761
Blocpdb> 98 atoms in block 97
Block first atom: 8851
Blocpdb> 105 atoms in block 98
Block first atom: 8949
Blocpdb> 91 atoms in block 99
Block first atom: 9054
Blocpdb> 108 atoms in block 100
Block first atom: 9145
Blocpdb> 103 atoms in block 101
Block first atom: 9253
Blocpdb> 89 atoms in block 102
Block first atom: 9356
Blocpdb> 94 atoms in block 103
Block first atom: 9445
Blocpdb> 92 atoms in block 104
Block first atom: 9539
Blocpdb> 85 atoms in block 105
Block first atom: 9631
Blocpdb> 100 atoms in block 106
Block first atom: 9716
Blocpdb> 92 atoms in block 107
Block first atom: 9816
Blocpdb> 84 atoms in block 108
Block first atom: 9908
Blocpdb> 79 atoms in block 109
Block first atom: 9992
Blocpdb> 88 atoms in block 110
Block first atom: 10071
Blocpdb> 52 atoms in block 111
Block first atom: 10159
Blocpdb> 83 atoms in block 112
Block first atom: 10211
Blocpdb> 77 atoms in block 113
Block first atom: 10294
Blocpdb> 82 atoms in block 114
Block first atom: 10371
Blocpdb> 84 atoms in block 115
Block first atom: 10453
Blocpdb> 89 atoms in block 116
Block first atom: 10537
Blocpdb> 88 atoms in block 117
Block first atom: 10626
Blocpdb> 86 atoms in block 118
Block first atom: 10714
Blocpdb> 94 atoms in block 119
Block first atom: 10800
Blocpdb> 98 atoms in block 120
Block first atom: 10894
Blocpdb> 82 atoms in block 121
Block first atom: 10992
Blocpdb> 91 atoms in block 122
Block first atom: 11074
Blocpdb> 91 atoms in block 123
Block first atom: 11165
Blocpdb> 102 atoms in block 124
Block first atom: 11256
Blocpdb> 91 atoms in block 125
Block first atom: 11358
Blocpdb> 90 atoms in block 126
Block first atom: 11449
Blocpdb> 97 atoms in block 127
Block first atom: 11539
Blocpdb> 99 atoms in block 128
Block first atom: 11636
Blocpdb> 84 atoms in block 129
Block first atom: 11735
Blocpdb> 89 atoms in block 130
Block first atom: 11819
Blocpdb> 96 atoms in block 131
Block first atom: 11908
Blocpdb> 95 atoms in block 132
Block first atom: 12004
Blocpdb> 90 atoms in block 133
Block first atom: 12099
Blocpdb> 94 atoms in block 134
Block first atom: 12189
Blocpdb> 95 atoms in block 135
Block first atom: 12283
Blocpdb> 94 atoms in block 136
Block first atom: 12378
Blocpdb> 89 atoms in block 137
Block first atom: 12472
Blocpdb> 93 atoms in block 138
Block first atom: 12561
Blocpdb> 92 atoms in block 139
Block first atom: 12654
Blocpdb> 98 atoms in block 140
Block first atom: 12746
Blocpdb> 100 atoms in block 141
Block first atom: 12844
Blocpdb> 81 atoms in block 142
Block first atom: 12944
Blocpdb> 86 atoms in block 143
Block first atom: 13025
Blocpdb> 88 atoms in block 144
Block first atom: 13111
Blocpdb> 100 atoms in block 145
Block first atom: 13199
Blocpdb> 91 atoms in block 146
Block first atom: 13299
Blocpdb> 83 atoms in block 147
Block first atom: 13390
Blocpdb> 95 atoms in block 148
Block first atom: 13473
Blocpdb> 91 atoms in block 149
Block first atom: 13568
Blocpdb> 82 atoms in block 150
Block first atom: 13659
Blocpdb> 86 atoms in block 151
Block first atom: 13741
Blocpdb> 83 atoms in block 152
Block first atom: 13827
Blocpdb> 82 atoms in block 153
Block first atom: 13910
Blocpdb> 91 atoms in block 154
Block first atom: 13992
Blocpdb> 93 atoms in block 155
Block first atom: 14083
Blocpdb> 91 atoms in block 156
Block first atom: 14176
Blocpdb> 91 atoms in block 157
Block first atom: 14267
Blocpdb> 86 atoms in block 158
Block first atom: 14358
Blocpdb> 86 atoms in block 159
Block first atom: 14444
Blocpdb> 89 atoms in block 160
Block first atom: 14530
Blocpdb> 80 atoms in block 161
Block first atom: 14619
Blocpdb> 94 atoms in block 162
Block first atom: 14699
Blocpdb> 83 atoms in block 163
Block first atom: 14793
Blocpdb> 93 atoms in block 164
Block first atom: 14876
Blocpdb> 89 atoms in block 165
Block first atom: 14969
Blocpdb> 93 atoms in block 166
Block first atom: 15058
Blocpdb> 86 atoms in block 167
Block first atom: 15151
Blocpdb> 90 atoms in block 168
Block first atom: 15237
Blocpdb> 85 atoms in block 169
Block first atom: 15327
Blocpdb> 84 atoms in block 170
Block first atom: 15412
Blocpdb> 96 atoms in block 171
Block first atom: 15496
Blocpdb> 110 atoms in block 172
Block first atom: 15592
Blocpdb> 103 atoms in block 173
Block first atom: 15702
Blocpdb> 95 atoms in block 174
Block first atom: 15805
Blocpdb> 91 atoms in block 175
Block first atom: 15900
Blocpdb> 91 atoms in block 176
Block first atom: 15991
Blocpdb> 97 atoms in block 177
Block first atom: 16082
Blocpdb> 81 atoms in block 178
Block first atom: 16179
Blocpdb> 72 atoms in block 179
Block first atom: 16260
Blocpdb> 98 atoms in block 180
Block first atom: 16332
Blocpdb> 103 atoms in block 181
Block first atom: 16430
Blocpdb> 100 atoms in block 182
Block first atom: 16533
Blocpdb> 105 atoms in block 183
Block first atom: 16633
Blocpdb> 93 atoms in block 184
Block first atom: 16738
Blocpdb> 95 atoms in block 185
Block first atom: 16831
Blocpdb> 105 atoms in block 186
Block first atom: 16926
Blocpdb> 103 atoms in block 187
Block first atom: 17031
Blocpdb> 89 atoms in block 188
Block first atom: 17134
Blocpdb> 109 atoms in block 189
Block first atom: 17223
Blocpdb> 95 atoms in block 190
Block first atom: 17332
Blocpdb> 84 atoms in block 191
Block first atom: 17427
Blocpdb> 86 atoms in block 192
Block first atom: 17511
Blocpdb> 87 atoms in block 193
Block first atom: 17597
Blocpdb> 108 atoms in block 194
Block first atom: 17684
Blocpdb> 90 atoms in block 195
Block first atom: 17792
Blocpdb> 104 atoms in block 196
Block first atom: 17882
Blocpdb> 93 atoms in block 197
Block first atom: 17986
Blocpdb> 93 atoms in block 198
Block first atom: 18079
Blocpdb> 96 atoms in block 199
Block first atom: 18172
Blocpdb> 96 atoms in block 200
Block first atom: 18268
Blocpdb> 109 atoms in block 201
Block first atom: 18364
Blocpdb> 101 atoms in block 202
Block first atom: 18473
Blocpdb> 97 atoms in block 203
Block first atom: 18574
Blocpdb> 97 atoms in block 204
Block first atom: 18671
Blocpdb> 104 atoms in block 205
Block first atom: 18768
Blocpdb> 99 atoms in block 206
Block first atom: 18872
Blocpdb> 90 atoms in block 207
Block first atom: 18971
Blocpdb> 98 atoms in block 208
Block first atom: 19061
Blocpdb> 105 atoms in block 209
Block first atom: 19159
Blocpdb> 91 atoms in block 210
Block first atom: 19264
Blocpdb> 108 atoms in block 211
Block first atom: 19355
Blocpdb> 103 atoms in block 212
Block first atom: 19463
Blocpdb> 89 atoms in block 213
Block first atom: 19566
Blocpdb> 94 atoms in block 214
Block first atom: 19655
Blocpdb> 92 atoms in block 215
Block first atom: 19749
Blocpdb> 85 atoms in block 216
Block first atom: 19841
Blocpdb> 100 atoms in block 217
Block first atom: 19926
Blocpdb> 92 atoms in block 218
Block first atom: 20026
Blocpdb> 84 atoms in block 219
Block first atom: 20118
Blocpdb> 79 atoms in block 220
Block first atom: 20202
Blocpdb> 88 atoms in block 221
Block first atom: 20281
Blocpdb> 52 atoms in block 222
Block first atom: 20369
Blocpdb> 83 atoms in block 223
Block first atom: 20421
Blocpdb> 77 atoms in block 224
Block first atom: 20504
Blocpdb> 82 atoms in block 225
Block first atom: 20581
Blocpdb> 84 atoms in block 226
Block first atom: 20663
Blocpdb> 89 atoms in block 227
Block first atom: 20747
Blocpdb> 88 atoms in block 228
Block first atom: 20836
Blocpdb> 86 atoms in block 229
Block first atom: 20924
Blocpdb> 94 atoms in block 230
Block first atom: 21010
Blocpdb> 98 atoms in block 231
Block first atom: 21104
Blocpdb> 82 atoms in block 232
Block first atom: 21202
Blocpdb> 91 atoms in block 233
Block first atom: 21284
Blocpdb> 91 atoms in block 234
Block first atom: 21375
Blocpdb> 102 atoms in block 235
Block first atom: 21466
Blocpdb> 91 atoms in block 236
Block first atom: 21568
Blocpdb> 90 atoms in block 237
Block first atom: 21659
Blocpdb> 97 atoms in block 238
Block first atom: 21749
Blocpdb> 99 atoms in block 239
Block first atom: 21846
Blocpdb> 84 atoms in block 240
Block first atom: 21945
Blocpdb> 89 atoms in block 241
Block first atom: 22029
Blocpdb> 96 atoms in block 242
Block first atom: 22118
Blocpdb> 95 atoms in block 243
Block first atom: 22214
Blocpdb> 90 atoms in block 244
Block first atom: 22309
Blocpdb> 94 atoms in block 245
Block first atom: 22399
Blocpdb> 95 atoms in block 246
Block first atom: 22493
Blocpdb> 94 atoms in block 247
Block first atom: 22588
Blocpdb> 89 atoms in block 248
Block first atom: 22682
Blocpdb> 93 atoms in block 249
Block first atom: 22771
Blocpdb> 92 atoms in block 250
Block first atom: 22864
Blocpdb> 98 atoms in block 251
Block first atom: 22956
Blocpdb> 100 atoms in block 252
Block first atom: 23054
Blocpdb> 81 atoms in block 253
Block first atom: 23154
Blocpdb> 86 atoms in block 254
Block first atom: 23235
Blocpdb> 88 atoms in block 255
Block first atom: 23321
Blocpdb> 100 atoms in block 256
Block first atom: 23409
Blocpdb> 91 atoms in block 257
Block first atom: 23509
Blocpdb> 83 atoms in block 258
Block first atom: 23600
Blocpdb> 95 atoms in block 259
Block first atom: 23683
Blocpdb> 91 atoms in block 260
Block first atom: 23778
Blocpdb> 82 atoms in block 261
Block first atom: 23869
Blocpdb> 86 atoms in block 262
Block first atom: 23951
Blocpdb> 83 atoms in block 263
Block first atom: 24037
Blocpdb> 82 atoms in block 264
Block first atom: 24120
Blocpdb> 91 atoms in block 265
Block first atom: 24202
Blocpdb> 93 atoms in block 266
Block first atom: 24293
Blocpdb> 91 atoms in block 267
Block first atom: 24386
Blocpdb> 91 atoms in block 268
Block first atom: 24477
Blocpdb> 86 atoms in block 269
Block first atom: 24568
Blocpdb> 86 atoms in block 270
Block first atom: 24654
Blocpdb> 89 atoms in block 271
Block first atom: 24740
Blocpdb> 80 atoms in block 272
Block first atom: 24829
Blocpdb> 94 atoms in block 273
Block first atom: 24909
Blocpdb> 83 atoms in block 274
Block first atom: 25003
Blocpdb> 93 atoms in block 275
Block first atom: 25086
Blocpdb> 89 atoms in block 276
Block first atom: 25179
Blocpdb> 93 atoms in block 277
Block first atom: 25268
Blocpdb> 86 atoms in block 278
Block first atom: 25361
Blocpdb> 90 atoms in block 279
Block first atom: 25447
Blocpdb> 85 atoms in block 280
Block first atom: 25537
Blocpdb> 84 atoms in block 281
Block first atom: 25622
Blocpdb> 96 atoms in block 282
Block first atom: 25706
Blocpdb> 110 atoms in block 283
Block first atom: 25802
Blocpdb> 103 atoms in block 284
Block first atom: 25912
Blocpdb> 95 atoms in block 285
Block first atom: 26015
Blocpdb> 91 atoms in block 286
Block first atom: 26110
Blocpdb> 91 atoms in block 287
Block first atom: 26201
Blocpdb> 97 atoms in block 288
Block first atom: 26292
Blocpdb> 81 atoms in block 289
Block first atom: 26389
Blocpdb> 72 atoms in block 290
Block first atom: 26470
Blocpdb> 98 atoms in block 291
Block first atom: 26542
Blocpdb> 103 atoms in block 292
Block first atom: 26640
Blocpdb> 100 atoms in block 293
Block first atom: 26743
Blocpdb> 105 atoms in block 294
Block first atom: 26843
Blocpdb> 93 atoms in block 295
Block first atom: 26948
Blocpdb> 95 atoms in block 296
Block first atom: 27041
Blocpdb> 105 atoms in block 297
Block first atom: 27136
Blocpdb> 103 atoms in block 298
Block first atom: 27241
Blocpdb> 89 atoms in block 299
Block first atom: 27344
Blocpdb> 109 atoms in block 300
Block first atom: 27433
Blocpdb> 95 atoms in block 301
Block first atom: 27542
Blocpdb> 84 atoms in block 302
Block first atom: 27637
Blocpdb> 86 atoms in block 303
Block first atom: 27721
Blocpdb> 87 atoms in block 304
Block first atom: 27807
Blocpdb> 108 atoms in block 305
Block first atom: 27894
Blocpdb> 90 atoms in block 306
Block first atom: 28002
Blocpdb> 104 atoms in block 307
Block first atom: 28092
Blocpdb> 93 atoms in block 308
Block first atom: 28196
Blocpdb> 93 atoms in block 309
Block first atom: 28289
Blocpdb> 96 atoms in block 310
Block first atom: 28382
Blocpdb> 96 atoms in block 311
Block first atom: 28478
Blocpdb> 109 atoms in block 312
Block first atom: 28574
Blocpdb> 101 atoms in block 313
Block first atom: 28683
Blocpdb> 97 atoms in block 314
Block first atom: 28784
Blocpdb> 97 atoms in block 315
Block first atom: 28881
Blocpdb> 104 atoms in block 316
Block first atom: 28978
Blocpdb> 99 atoms in block 317
Block first atom: 29082
Blocpdb> 90 atoms in block 318
Block first atom: 29181
Blocpdb> 98 atoms in block 319
Block first atom: 29271
Blocpdb> 105 atoms in block 320
Block first atom: 29369
Blocpdb> 91 atoms in block 321
Block first atom: 29474
Blocpdb> 108 atoms in block 322
Block first atom: 29565
Blocpdb> 103 atoms in block 323
Block first atom: 29673
Blocpdb> 89 atoms in block 324
Block first atom: 29776
Blocpdb> 94 atoms in block 325
Block first atom: 29865
Blocpdb> 92 atoms in block 326
Block first atom: 29959
Blocpdb> 85 atoms in block 327
Block first atom: 30051
Blocpdb> 100 atoms in block 328
Block first atom: 30136
Blocpdb> 92 atoms in block 329
Block first atom: 30236
Blocpdb> 84 atoms in block 330
Block first atom: 30328
Blocpdb> 79 atoms in block 331
Block first atom: 30412
Blocpdb> 88 atoms in block 332
Block first atom: 30491
Blocpdb> 52 atoms in block 333
Block first atom: 30579
Blocpdb> 83 atoms in block 334
Block first atom: 30631
Blocpdb> 77 atoms in block 335
Block first atom: 30714
Blocpdb> 82 atoms in block 336
Block first atom: 30791
Blocpdb> 84 atoms in block 337
Block first atom: 30873
Blocpdb> 89 atoms in block 338
Block first atom: 30957
Blocpdb> 88 atoms in block 339
Block first atom: 31046
Blocpdb> 86 atoms in block 340
Block first atom: 31134
Blocpdb> 94 atoms in block 341
Block first atom: 31220
Blocpdb> 98 atoms in block 342
Block first atom: 31314
Blocpdb> 82 atoms in block 343
Block first atom: 31412
Blocpdb> 91 atoms in block 344
Block first atom: 31494
Blocpdb> 91 atoms in block 345
Block first atom: 31585
Blocpdb> 102 atoms in block 346
Block first atom: 31676
Blocpdb> 91 atoms in block 347
Block first atom: 31778
Blocpdb> 90 atoms in block 348
Block first atom: 31869
Blocpdb> 97 atoms in block 349
Block first atom: 31959
Blocpdb> 99 atoms in block 350
Block first atom: 32056
Blocpdb> 84 atoms in block 351
Block first atom: 32155
Blocpdb> 89 atoms in block 352
Block first atom: 32239
Blocpdb> 96 atoms in block 353
Block first atom: 32328
Blocpdb> 95 atoms in block 354
Block first atom: 32424
Blocpdb> 90 atoms in block 355
Block first atom: 32519
Blocpdb> 94 atoms in block 356
Block first atom: 32609
Blocpdb> 95 atoms in block 357
Block first atom: 32703
Blocpdb> 94 atoms in block 358
Block first atom: 32798
Blocpdb> 89 atoms in block 359
Block first atom: 32892
Blocpdb> 93 atoms in block 360
Block first atom: 32981
Blocpdb> 92 atoms in block 361
Block first atom: 33074
Blocpdb> 98 atoms in block 362
Block first atom: 33166
Blocpdb> 100 atoms in block 363
Block first atom: 33264
Blocpdb> 81 atoms in block 364
Block first atom: 33364
Blocpdb> 86 atoms in block 365
Block first atom: 33445
Blocpdb> 88 atoms in block 366
Block first atom: 33531
Blocpdb> 100 atoms in block 367
Block first atom: 33619
Blocpdb> 91 atoms in block 368
Block first atom: 33719
Blocpdb> 83 atoms in block 369
Block first atom: 33810
Blocpdb> 95 atoms in block 370
Block first atom: 33893
Blocpdb> 91 atoms in block 371
Block first atom: 33988
Blocpdb> 82 atoms in block 372
Block first atom: 34079
Blocpdb> 86 atoms in block 373
Block first atom: 34161
Blocpdb> 83 atoms in block 374
Block first atom: 34247
Blocpdb> 82 atoms in block 375
Block first atom: 34330
Blocpdb> 91 atoms in block 376
Block first atom: 34412
Blocpdb> 93 atoms in block 377
Block first atom: 34503
Blocpdb> 91 atoms in block 378
Block first atom: 34596
Blocpdb> 91 atoms in block 379
Block first atom: 34687
Blocpdb> 86 atoms in block 380
Block first atom: 34778
Blocpdb> 86 atoms in block 381
Block first atom: 34864
Blocpdb> 89 atoms in block 382
Block first atom: 34950
Blocpdb> 80 atoms in block 383
Block first atom: 35039
Blocpdb> 94 atoms in block 384
Block first atom: 35119
Blocpdb> 83 atoms in block 385
Block first atom: 35213
Blocpdb> 93 atoms in block 386
Block first atom: 35296
Blocpdb> 89 atoms in block 387
Block first atom: 35389
Blocpdb> 93 atoms in block 388
Block first atom: 35478
Blocpdb> 86 atoms in block 389
Block first atom: 35571
Blocpdb> 90 atoms in block 390
Block first atom: 35657
Blocpdb> 85 atoms in block 391
Block first atom: 35747
Blocpdb> 84 atoms in block 392
Block first atom: 35832
Blocpdb> 96 atoms in block 393
Block first atom: 35916
Blocpdb> 110 atoms in block 394
Block first atom: 36012
Blocpdb> 103 atoms in block 395
Block first atom: 36122
Blocpdb> 95 atoms in block 396
Block first atom: 36225
Blocpdb> 91 atoms in block 397
Block first atom: 36320
Blocpdb> 91 atoms in block 398
Block first atom: 36411
Blocpdb> 97 atoms in block 399
Block first atom: 36502
Blocpdb> 81 atoms in block 400
Block first atom: 36599
Blocpdb> 72 atoms in block 401
Block first atom: 36680
Blocpdb> 98 atoms in block 402
Block first atom: 36752
Blocpdb> 103 atoms in block 403
Block first atom: 36850
Blocpdb> 100 atoms in block 404
Block first atom: 36953
Blocpdb> 105 atoms in block 405
Block first atom: 37053
Blocpdb> 93 atoms in block 406
Block first atom: 37158
Blocpdb> 95 atoms in block 407
Block first atom: 37251
Blocpdb> 105 atoms in block 408
Block first atom: 37346
Blocpdb> 103 atoms in block 409
Block first atom: 37451
Blocpdb> 89 atoms in block 410
Block first atom: 37554
Blocpdb> 109 atoms in block 411
Block first atom: 37643
Blocpdb> 95 atoms in block 412
Block first atom: 37752
Blocpdb> 84 atoms in block 413
Block first atom: 37847
Blocpdb> 86 atoms in block 414
Block first atom: 37931
Blocpdb> 87 atoms in block 415
Block first atom: 38017
Blocpdb> 108 atoms in block 416
Block first atom: 38104
Blocpdb> 90 atoms in block 417
Block first atom: 38212
Blocpdb> 104 atoms in block 418
Block first atom: 38302
Blocpdb> 93 atoms in block 419
Block first atom: 38406
Blocpdb> 93 atoms in block 420
Block first atom: 38499
Blocpdb> 96 atoms in block 421
Block first atom: 38592
Blocpdb> 96 atoms in block 422
Block first atom: 38688
Blocpdb> 109 atoms in block 423
Block first atom: 38784
Blocpdb> 101 atoms in block 424
Block first atom: 38893
Blocpdb> 97 atoms in block 425
Block first atom: 38994
Blocpdb> 97 atoms in block 426
Block first atom: 39091
Blocpdb> 104 atoms in block 427
Block first atom: 39188
Blocpdb> 99 atoms in block 428
Block first atom: 39292
Blocpdb> 90 atoms in block 429
Block first atom: 39391
Blocpdb> 98 atoms in block 430
Block first atom: 39481
Blocpdb> 105 atoms in block 431
Block first atom: 39579
Blocpdb> 91 atoms in block 432
Block first atom: 39684
Blocpdb> 108 atoms in block 433
Block first atom: 39775
Blocpdb> 103 atoms in block 434
Block first atom: 39883
Blocpdb> 89 atoms in block 435
Block first atom: 39986
Blocpdb> 94 atoms in block 436
Block first atom: 40075
Blocpdb> 92 atoms in block 437
Block first atom: 40169
Blocpdb> 85 atoms in block 438
Block first atom: 40261
Blocpdb> 100 atoms in block 439
Block first atom: 40346
Blocpdb> 92 atoms in block 440
Block first atom: 40446
Blocpdb> 84 atoms in block 441
Block first atom: 40538
Blocpdb> 79 atoms in block 442
Block first atom: 40622
Blocpdb> 88 atoms in block 443
Block first atom: 40701
Blocpdb> 52 atoms in block 444
Block first atom: 40788
Blocpdb> 444 blocks.
Blocpdb> At most, 110 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: 40540501 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 0m0.176s
user 0m0.161s
sys 0m0.015s
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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