*** 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 = 2607020536101890499.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 2607020536101890499.atom to be opened.
Openam> File opened: 2607020536101890499.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 = 2607020536101890499.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 13
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 2607020536101890499.atom to be opened.
Openam> file on opening on unit 11:
2607020536101890499.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> 13 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 87 atoms in block 1
Block first atom: 1
Blocpdb> 84 atoms in block 2
Block first atom: 88
Blocpdb> 94 atoms in block 3
Block first atom: 172
Blocpdb> 92 atoms in block 4
Block first atom: 266
Blocpdb> 100 atoms in block 5
Block first atom: 358
Blocpdb> 88 atoms in block 6
Block first atom: 458
Blocpdb> 93 atoms in block 7
Block first atom: 546
Blocpdb> 111 atoms in block 8
Block first atom: 639
Blocpdb> 97 atoms in block 9
Block first atom: 750
Blocpdb> 92 atoms in block 10
Block first atom: 847
Blocpdb> 99 atoms in block 11
Block first atom: 939
Blocpdb> 110 atoms in block 12
Block first atom: 1038
Blocpdb> 98 atoms in block 13
Block first atom: 1148
Blocpdb> 98 atoms in block 14
Block first atom: 1246
Blocpdb> 105 atoms in block 15
Block first atom: 1344
Blocpdb> 100 atoms in block 16
Block first atom: 1449
Blocpdb> 102 atoms in block 17
Block first atom: 1549
Blocpdb> 95 atoms in block 18
Block first atom: 1651
Blocpdb> 101 atoms in block 19
Block first atom: 1746
Blocpdb> 103 atoms in block 20
Block first atom: 1847
Blocpdb> 102 atoms in block 21
Block first atom: 1950
Blocpdb> 103 atoms in block 22
Block first atom: 2052
Blocpdb> 95 atoms in block 23
Block first atom: 2155
Blocpdb> 101 atoms in block 24
Block first atom: 2250
Blocpdb> 101 atoms in block 25
Block first atom: 2351
Blocpdb> 100 atoms in block 26
Block first atom: 2452
Blocpdb> 106 atoms in block 27
Block first atom: 2552
Blocpdb> 99 atoms in block 28
Block first atom: 2658
Blocpdb> 99 atoms in block 29
Block first atom: 2757
Blocpdb> 91 atoms in block 30
Block first atom: 2856
Blocpdb> 101 atoms in block 31
Block first atom: 2947
Blocpdb> 105 atoms in block 32
Block first atom: 3048
Blocpdb> 88 atoms in block 33
Block first atom: 3153
Blocpdb> 97 atoms in block 34
Block first atom: 3241
Blocpdb> 103 atoms in block 35
Block first atom: 3338
Blocpdb> 90 atoms in block 36
Block first atom: 3441
Blocpdb> 90 atoms in block 37
Block first atom: 3531
Blocpdb> 91 atoms in block 38
Block first atom: 3621
Blocpdb> 94 atoms in block 39
Block first atom: 3712
Blocpdb> 100 atoms in block 40
Block first atom: 3806
Blocpdb> 99 atoms in block 41
Block first atom: 3906
Blocpdb> 101 atoms in block 42
Block first atom: 4005
Blocpdb> 91 atoms in block 43
Block first atom: 4106
Blocpdb> 90 atoms in block 44
Block first atom: 4197
Blocpdb> 96 atoms in block 45
Block first atom: 4287
Blocpdb> 96 atoms in block 46
Block first atom: 4383
Blocpdb> 99 atoms in block 47
Block first atom: 4479
Blocpdb> 88 atoms in block 48
Block first atom: 4578
Blocpdb> 104 atoms in block 49
Block first atom: 4666
Blocpdb> 92 atoms in block 50
Block first atom: 4770
Blocpdb> 97 atoms in block 51
Block first atom: 4862
Blocpdb> 104 atoms in block 52
Block first atom: 4959
Blocpdb> 94 atoms in block 53
Block first atom: 5063
Blocpdb> 89 atoms in block 54
Block first atom: 5157
Blocpdb> 98 atoms in block 55
Block first atom: 5246
Blocpdb> 111 atoms in block 56
Block first atom: 5344
Blocpdb> 112 atoms in block 57
Block first atom: 5455
Blocpdb> 108 atoms in block 58
Block first atom: 5567
Blocpdb> 98 atoms in block 59
Block first atom: 5675
Blocpdb> 99 atoms in block 60
Block first atom: 5773
Blocpdb> 102 atoms in block 61
Block first atom: 5872
Blocpdb> 92 atoms in block 62
Block first atom: 5974
Blocpdb> 81 atoms in block 63
Block first atom: 6066
Blocpdb> 107 atoms in block 64
Block first atom: 6147
Blocpdb> 106 atoms in block 65
Block first atom: 6254
Blocpdb> 114 atoms in block 66
Block first atom: 6360
Blocpdb> 110 atoms in block 67
Block first atom: 6474
Blocpdb> 102 atoms in block 68
Block first atom: 6584
Blocpdb> 107 atoms in block 69
Block first atom: 6686
Blocpdb> 113 atoms in block 70
Block first atom: 6793
Blocpdb> 100 atoms in block 71
Block first atom: 6906
Blocpdb> 116 atoms in block 72
Block first atom: 7006
Blocpdb> 104 atoms in block 73
Block first atom: 7122
Blocpdb> 89 atoms in block 74
Block first atom: 7226
Blocpdb> 87 atoms in block 75
Block first atom: 7315
Blocpdb> 108 atoms in block 76
Block first atom: 7402
Blocpdb> 111 atoms in block 77
Block first atom: 7510
Blocpdb> 102 atoms in block 78
Block first atom: 7621
Blocpdb> 110 atoms in block 79
Block first atom: 7723
Blocpdb> 101 atoms in block 80
Block first atom: 7833
Blocpdb> 104 atoms in block 81
Block first atom: 7934
Blocpdb> 100 atoms in block 82
Block first atom: 8038
Blocpdb> 113 atoms in block 83
Block first atom: 8138
Blocpdb> 113 atoms in block 84
Block first atom: 8251
Blocpdb> 104 atoms in block 85
Block first atom: 8364
Blocpdb> 102 atoms in block 86
Block first atom: 8468
Blocpdb> 120 atoms in block 87
Block first atom: 8570
Blocpdb> 100 atoms in block 88
Block first atom: 8690
Blocpdb> 103 atoms in block 89
Block first atom: 8790
Blocpdb> 111 atoms in block 90
Block first atom: 8893
Blocpdb> 108 atoms in block 91
Block first atom: 9004
Blocpdb> 103 atoms in block 92
Block first atom: 9112
Blocpdb> 114 atoms in block 93
Block first atom: 9215
Blocpdb> 105 atoms in block 94
Block first atom: 9329
Blocpdb> 96 atoms in block 95
Block first atom: 9434
Blocpdb> 101 atoms in block 96
Block first atom: 9530
Blocpdb> 90 atoms in block 97
Block first atom: 9631
Blocpdb> 109 atoms in block 98
Block first atom: 9721
Blocpdb> 104 atoms in block 99
Block first atom: 9830
Blocpdb> 83 atoms in block 100
Block first atom: 9934
Blocpdb> 89 atoms in block 101
Block first atom: 10017
Blocpdb> 95 atoms in block 102
Block first atom: 10106
Blocpdb> 10 atoms in block 103
Block first atom: 10201
Blocpdb> 87 atoms in block 104
Block first atom: 10211
Blocpdb> 84 atoms in block 105
Block first atom: 10298
Blocpdb> 94 atoms in block 106
Block first atom: 10382
Blocpdb> 92 atoms in block 107
Block first atom: 10476
Blocpdb> 100 atoms in block 108
Block first atom: 10568
Blocpdb> 88 atoms in block 109
Block first atom: 10668
Blocpdb> 93 atoms in block 110
Block first atom: 10756
Blocpdb> 111 atoms in block 111
Block first atom: 10849
Blocpdb> 97 atoms in block 112
Block first atom: 10960
Blocpdb> 92 atoms in block 113
Block first atom: 11057
Blocpdb> 99 atoms in block 114
Block first atom: 11149
Blocpdb> 110 atoms in block 115
Block first atom: 11248
Blocpdb> 98 atoms in block 116
Block first atom: 11358
Blocpdb> 98 atoms in block 117
Block first atom: 11456
Blocpdb> 105 atoms in block 118
Block first atom: 11554
Blocpdb> 100 atoms in block 119
Block first atom: 11659
Blocpdb> 102 atoms in block 120
Block first atom: 11759
Blocpdb> 95 atoms in block 121
Block first atom: 11861
Blocpdb> 101 atoms in block 122
Block first atom: 11956
Blocpdb> 103 atoms in block 123
Block first atom: 12057
Blocpdb> 102 atoms in block 124
Block first atom: 12160
Blocpdb> 103 atoms in block 125
Block first atom: 12262
Blocpdb> 95 atoms in block 126
Block first atom: 12365
Blocpdb> 101 atoms in block 127
Block first atom: 12460
Blocpdb> 101 atoms in block 128
Block first atom: 12561
Blocpdb> 100 atoms in block 129
Block first atom: 12662
Blocpdb> 106 atoms in block 130
Block first atom: 12762
Blocpdb> 99 atoms in block 131
Block first atom: 12868
Blocpdb> 99 atoms in block 132
Block first atom: 12967
Blocpdb> 91 atoms in block 133
Block first atom: 13066
Blocpdb> 101 atoms in block 134
Block first atom: 13157
Blocpdb> 105 atoms in block 135
Block first atom: 13258
Blocpdb> 88 atoms in block 136
Block first atom: 13363
Blocpdb> 97 atoms in block 137
Block first atom: 13451
Blocpdb> 103 atoms in block 138
Block first atom: 13548
Blocpdb> 90 atoms in block 139
Block first atom: 13651
Blocpdb> 90 atoms in block 140
Block first atom: 13741
Blocpdb> 91 atoms in block 141
Block first atom: 13831
Blocpdb> 94 atoms in block 142
Block first atom: 13922
Blocpdb> 100 atoms in block 143
Block first atom: 14016
Blocpdb> 99 atoms in block 144
Block first atom: 14116
Blocpdb> 101 atoms in block 145
Block first atom: 14215
Blocpdb> 91 atoms in block 146
Block first atom: 14316
Blocpdb> 90 atoms in block 147
Block first atom: 14407
Blocpdb> 96 atoms in block 148
Block first atom: 14497
Blocpdb> 96 atoms in block 149
Block first atom: 14593
Blocpdb> 99 atoms in block 150
Block first atom: 14689
Blocpdb> 88 atoms in block 151
Block first atom: 14788
Blocpdb> 104 atoms in block 152
Block first atom: 14876
Blocpdb> 92 atoms in block 153
Block first atom: 14980
Blocpdb> 97 atoms in block 154
Block first atom: 15072
Blocpdb> 104 atoms in block 155
Block first atom: 15169
Blocpdb> 94 atoms in block 156
Block first atom: 15273
Blocpdb> 89 atoms in block 157
Block first atom: 15367
Blocpdb> 98 atoms in block 158
Block first atom: 15456
Blocpdb> 111 atoms in block 159
Block first atom: 15554
Blocpdb> 112 atoms in block 160
Block first atom: 15665
Blocpdb> 108 atoms in block 161
Block first atom: 15777
Blocpdb> 98 atoms in block 162
Block first atom: 15885
Blocpdb> 99 atoms in block 163
Block first atom: 15983
Blocpdb> 102 atoms in block 164
Block first atom: 16082
Blocpdb> 92 atoms in block 165
Block first atom: 16184
Blocpdb> 81 atoms in block 166
Block first atom: 16276
Blocpdb> 107 atoms in block 167
Block first atom: 16357
Blocpdb> 106 atoms in block 168
Block first atom: 16464
Blocpdb> 114 atoms in block 169
Block first atom: 16570
Blocpdb> 110 atoms in block 170
Block first atom: 16684
Blocpdb> 102 atoms in block 171
Block first atom: 16794
Blocpdb> 107 atoms in block 172
Block first atom: 16896
Blocpdb> 113 atoms in block 173
Block first atom: 17003
Blocpdb> 100 atoms in block 174
Block first atom: 17116
Blocpdb> 116 atoms in block 175
Block first atom: 17216
Blocpdb> 104 atoms in block 176
Block first atom: 17332
Blocpdb> 89 atoms in block 177
Block first atom: 17436
Blocpdb> 87 atoms in block 178
Block first atom: 17525
Blocpdb> 108 atoms in block 179
Block first atom: 17612
Blocpdb> 111 atoms in block 180
Block first atom: 17720
Blocpdb> 102 atoms in block 181
Block first atom: 17831
Blocpdb> 110 atoms in block 182
Block first atom: 17933
Blocpdb> 101 atoms in block 183
Block first atom: 18043
Blocpdb> 104 atoms in block 184
Block first atom: 18144
Blocpdb> 100 atoms in block 185
Block first atom: 18248
Blocpdb> 113 atoms in block 186
Block first atom: 18348
Blocpdb> 113 atoms in block 187
Block first atom: 18461
Blocpdb> 104 atoms in block 188
Block first atom: 18574
Blocpdb> 102 atoms in block 189
Block first atom: 18678
Blocpdb> 120 atoms in block 190
Block first atom: 18780
Blocpdb> 100 atoms in block 191
Block first atom: 18900
Blocpdb> 103 atoms in block 192
Block first atom: 19000
Blocpdb> 111 atoms in block 193
Block first atom: 19103
Blocpdb> 108 atoms in block 194
Block first atom: 19214
Blocpdb> 103 atoms in block 195
Block first atom: 19322
Blocpdb> 114 atoms in block 196
Block first atom: 19425
Blocpdb> 105 atoms in block 197
Block first atom: 19539
Blocpdb> 96 atoms in block 198
Block first atom: 19644
Blocpdb> 101 atoms in block 199
Block first atom: 19740
Blocpdb> 90 atoms in block 200
Block first atom: 19841
Blocpdb> 109 atoms in block 201
Block first atom: 19931
Blocpdb> 104 atoms in block 202
Block first atom: 20040
Blocpdb> 83 atoms in block 203
Block first atom: 20144
Blocpdb> 89 atoms in block 204
Block first atom: 20227
Blocpdb> 95 atoms in block 205
Block first atom: 20316
Blocpdb> 10 atoms in block 206
Block first atom: 20411
Blocpdb> 87 atoms in block 207
Block first atom: 20421
Blocpdb> 84 atoms in block 208
Block first atom: 20508
Blocpdb> 94 atoms in block 209
Block first atom: 20592
Blocpdb> 92 atoms in block 210
Block first atom: 20686
Blocpdb> 100 atoms in block 211
Block first atom: 20778
Blocpdb> 88 atoms in block 212
Block first atom: 20878
Blocpdb> 93 atoms in block 213
Block first atom: 20966
Blocpdb> 111 atoms in block 214
Block first atom: 21059
Blocpdb> 97 atoms in block 215
Block first atom: 21170
Blocpdb> 92 atoms in block 216
Block first atom: 21267
Blocpdb> 99 atoms in block 217
Block first atom: 21359
Blocpdb> 110 atoms in block 218
Block first atom: 21458
Blocpdb> 98 atoms in block 219
Block first atom: 21568
Blocpdb> 98 atoms in block 220
Block first atom: 21666
Blocpdb> 105 atoms in block 221
Block first atom: 21764
Blocpdb> 100 atoms in block 222
Block first atom: 21869
Blocpdb> 102 atoms in block 223
Block first atom: 21969
Blocpdb> 95 atoms in block 224
Block first atom: 22071
Blocpdb> 101 atoms in block 225
Block first atom: 22166
Blocpdb> 103 atoms in block 226
Block first atom: 22267
Blocpdb> 102 atoms in block 227
Block first atom: 22370
Blocpdb> 103 atoms in block 228
Block first atom: 22472
Blocpdb> 95 atoms in block 229
Block first atom: 22575
Blocpdb> 101 atoms in block 230
Block first atom: 22670
Blocpdb> 101 atoms in block 231
Block first atom: 22771
Blocpdb> 100 atoms in block 232
Block first atom: 22872
Blocpdb> 106 atoms in block 233
Block first atom: 22972
Blocpdb> 99 atoms in block 234
Block first atom: 23078
Blocpdb> 99 atoms in block 235
Block first atom: 23177
Blocpdb> 91 atoms in block 236
Block first atom: 23276
Blocpdb> 101 atoms in block 237
Block first atom: 23367
Blocpdb> 105 atoms in block 238
Block first atom: 23468
Blocpdb> 88 atoms in block 239
Block first atom: 23573
Blocpdb> 97 atoms in block 240
Block first atom: 23661
Blocpdb> 103 atoms in block 241
Block first atom: 23758
Blocpdb> 90 atoms in block 242
Block first atom: 23861
Blocpdb> 90 atoms in block 243
Block first atom: 23951
Blocpdb> 91 atoms in block 244
Block first atom: 24041
Blocpdb> 94 atoms in block 245
Block first atom: 24132
Blocpdb> 100 atoms in block 246
Block first atom: 24226
Blocpdb> 99 atoms in block 247
Block first atom: 24326
Blocpdb> 101 atoms in block 248
Block first atom: 24425
Blocpdb> 91 atoms in block 249
Block first atom: 24526
Blocpdb> 90 atoms in block 250
Block first atom: 24617
Blocpdb> 96 atoms in block 251
Block first atom: 24707
Blocpdb> 96 atoms in block 252
Block first atom: 24803
Blocpdb> 99 atoms in block 253
Block first atom: 24899
Blocpdb> 88 atoms in block 254
Block first atom: 24998
Blocpdb> 104 atoms in block 255
Block first atom: 25086
Blocpdb> 92 atoms in block 256
Block first atom: 25190
Blocpdb> 97 atoms in block 257
Block first atom: 25282
Blocpdb> 104 atoms in block 258
Block first atom: 25379
Blocpdb> 94 atoms in block 259
Block first atom: 25483
Blocpdb> 89 atoms in block 260
Block first atom: 25577
Blocpdb> 98 atoms in block 261
Block first atom: 25666
Blocpdb> 111 atoms in block 262
Block first atom: 25764
Blocpdb> 112 atoms in block 263
Block first atom: 25875
Blocpdb> 108 atoms in block 264
Block first atom: 25987
Blocpdb> 98 atoms in block 265
Block first atom: 26095
Blocpdb> 99 atoms in block 266
Block first atom: 26193
Blocpdb> 102 atoms in block 267
Block first atom: 26292
Blocpdb> 92 atoms in block 268
Block first atom: 26394
Blocpdb> 81 atoms in block 269
Block first atom: 26486
Blocpdb> 107 atoms in block 270
Block first atom: 26567
Blocpdb> 106 atoms in block 271
Block first atom: 26674
Blocpdb> 114 atoms in block 272
Block first atom: 26780
Blocpdb> 110 atoms in block 273
Block first atom: 26894
Blocpdb> 102 atoms in block 274
Block first atom: 27004
Blocpdb> 107 atoms in block 275
Block first atom: 27106
Blocpdb> 113 atoms in block 276
Block first atom: 27213
Blocpdb> 100 atoms in block 277
Block first atom: 27326
Blocpdb> 116 atoms in block 278
Block first atom: 27426
Blocpdb> 104 atoms in block 279
Block first atom: 27542
Blocpdb> 89 atoms in block 280
Block first atom: 27646
Blocpdb> 87 atoms in block 281
Block first atom: 27735
Blocpdb> 108 atoms in block 282
Block first atom: 27822
Blocpdb> 111 atoms in block 283
Block first atom: 27930
Blocpdb> 102 atoms in block 284
Block first atom: 28041
Blocpdb> 110 atoms in block 285
Block first atom: 28143
Blocpdb> 101 atoms in block 286
Block first atom: 28253
Blocpdb> 104 atoms in block 287
Block first atom: 28354
Blocpdb> 100 atoms in block 288
Block first atom: 28458
Blocpdb> 113 atoms in block 289
Block first atom: 28558
Blocpdb> 113 atoms in block 290
Block first atom: 28671
Blocpdb> 104 atoms in block 291
Block first atom: 28784
Blocpdb> 102 atoms in block 292
Block first atom: 28888
Blocpdb> 120 atoms in block 293
Block first atom: 28990
Blocpdb> 100 atoms in block 294
Block first atom: 29110
Blocpdb> 103 atoms in block 295
Block first atom: 29210
Blocpdb> 111 atoms in block 296
Block first atom: 29313
Blocpdb> 108 atoms in block 297
Block first atom: 29424
Blocpdb> 103 atoms in block 298
Block first atom: 29532
Blocpdb> 114 atoms in block 299
Block first atom: 29635
Blocpdb> 105 atoms in block 300
Block first atom: 29749
Blocpdb> 96 atoms in block 301
Block first atom: 29854
Blocpdb> 101 atoms in block 302
Block first atom: 29950
Blocpdb> 90 atoms in block 303
Block first atom: 30051
Blocpdb> 109 atoms in block 304
Block first atom: 30141
Blocpdb> 104 atoms in block 305
Block first atom: 30250
Blocpdb> 83 atoms in block 306
Block first atom: 30354
Blocpdb> 89 atoms in block 307
Block first atom: 30437
Blocpdb> 95 atoms in block 308
Block first atom: 30526
Blocpdb> 10 atoms in block 309
Block first atom: 30621
Blocpdb> 87 atoms in block 310
Block first atom: 30631
Blocpdb> 84 atoms in block 311
Block first atom: 30718
Blocpdb> 94 atoms in block 312
Block first atom: 30802
Blocpdb> 92 atoms in block 313
Block first atom: 30896
Blocpdb> 100 atoms in block 314
Block first atom: 30988
Blocpdb> 88 atoms in block 315
Block first atom: 31088
Blocpdb> 93 atoms in block 316
Block first atom: 31176
Blocpdb> 111 atoms in block 317
Block first atom: 31269
Blocpdb> 97 atoms in block 318
Block first atom: 31380
Blocpdb> 92 atoms in block 319
Block first atom: 31477
Blocpdb> 99 atoms in block 320
Block first atom: 31569
Blocpdb> 110 atoms in block 321
Block first atom: 31668
Blocpdb> 98 atoms in block 322
Block first atom: 31778
Blocpdb> 98 atoms in block 323
Block first atom: 31876
Blocpdb> 105 atoms in block 324
Block first atom: 31974
Blocpdb> 100 atoms in block 325
Block first atom: 32079
Blocpdb> 102 atoms in block 326
Block first atom: 32179
Blocpdb> 95 atoms in block 327
Block first atom: 32281
Blocpdb> 101 atoms in block 328
Block first atom: 32376
Blocpdb> 103 atoms in block 329
Block first atom: 32477
Blocpdb> 102 atoms in block 330
Block first atom: 32580
Blocpdb> 103 atoms in block 331
Block first atom: 32682
Blocpdb> 95 atoms in block 332
Block first atom: 32785
Blocpdb> 101 atoms in block 333
Block first atom: 32880
Blocpdb> 101 atoms in block 334
Block first atom: 32981
Blocpdb> 100 atoms in block 335
Block first atom: 33082
Blocpdb> 106 atoms in block 336
Block first atom: 33182
Blocpdb> 99 atoms in block 337
Block first atom: 33288
Blocpdb> 99 atoms in block 338
Block first atom: 33387
Blocpdb> 91 atoms in block 339
Block first atom: 33486
Blocpdb> 101 atoms in block 340
Block first atom: 33577
Blocpdb> 105 atoms in block 341
Block first atom: 33678
Blocpdb> 88 atoms in block 342
Block first atom: 33783
Blocpdb> 97 atoms in block 343
Block first atom: 33871
Blocpdb> 103 atoms in block 344
Block first atom: 33968
Blocpdb> 90 atoms in block 345
Block first atom: 34071
Blocpdb> 90 atoms in block 346
Block first atom: 34161
Blocpdb> 91 atoms in block 347
Block first atom: 34251
Blocpdb> 94 atoms in block 348
Block first atom: 34342
Blocpdb> 100 atoms in block 349
Block first atom: 34436
Blocpdb> 99 atoms in block 350
Block first atom: 34536
Blocpdb> 101 atoms in block 351
Block first atom: 34635
Blocpdb> 91 atoms in block 352
Block first atom: 34736
Blocpdb> 90 atoms in block 353
Block first atom: 34827
Blocpdb> 96 atoms in block 354
Block first atom: 34917
Blocpdb> 96 atoms in block 355
Block first atom: 35013
Blocpdb> 99 atoms in block 356
Block first atom: 35109
Blocpdb> 88 atoms in block 357
Block first atom: 35208
Blocpdb> 104 atoms in block 358
Block first atom: 35296
Blocpdb> 92 atoms in block 359
Block first atom: 35400
Blocpdb> 97 atoms in block 360
Block first atom: 35492
Blocpdb> 104 atoms in block 361
Block first atom: 35589
Blocpdb> 94 atoms in block 362
Block first atom: 35693
Blocpdb> 89 atoms in block 363
Block first atom: 35787
Blocpdb> 98 atoms in block 364
Block first atom: 35876
Blocpdb> 111 atoms in block 365
Block first atom: 35974
Blocpdb> 112 atoms in block 366
Block first atom: 36085
Blocpdb> 108 atoms in block 367
Block first atom: 36197
Blocpdb> 98 atoms in block 368
Block first atom: 36305
Blocpdb> 99 atoms in block 369
Block first atom: 36403
Blocpdb> 102 atoms in block 370
Block first atom: 36502
Blocpdb> 92 atoms in block 371
Block first atom: 36604
Blocpdb> 81 atoms in block 372
Block first atom: 36696
Blocpdb> 107 atoms in block 373
Block first atom: 36777
Blocpdb> 106 atoms in block 374
Block first atom: 36884
Blocpdb> 114 atoms in block 375
Block first atom: 36990
Blocpdb> 110 atoms in block 376
Block first atom: 37104
Blocpdb> 102 atoms in block 377
Block first atom: 37214
Blocpdb> 107 atoms in block 378
Block first atom: 37316
Blocpdb> 113 atoms in block 379
Block first atom: 37423
Blocpdb> 100 atoms in block 380
Block first atom: 37536
Blocpdb> 116 atoms in block 381
Block first atom: 37636
Blocpdb> 104 atoms in block 382
Block first atom: 37752
Blocpdb> 89 atoms in block 383
Block first atom: 37856
Blocpdb> 87 atoms in block 384
Block first atom: 37945
Blocpdb> 108 atoms in block 385
Block first atom: 38032
Blocpdb> 111 atoms in block 386
Block first atom: 38140
Blocpdb> 102 atoms in block 387
Block first atom: 38251
Blocpdb> 110 atoms in block 388
Block first atom: 38353
Blocpdb> 101 atoms in block 389
Block first atom: 38463
Blocpdb> 104 atoms in block 390
Block first atom: 38564
Blocpdb> 100 atoms in block 391
Block first atom: 38668
Blocpdb> 113 atoms in block 392
Block first atom: 38768
Blocpdb> 113 atoms in block 393
Block first atom: 38881
Blocpdb> 104 atoms in block 394
Block first atom: 38994
Blocpdb> 102 atoms in block 395
Block first atom: 39098
Blocpdb> 120 atoms in block 396
Block first atom: 39200
Blocpdb> 100 atoms in block 397
Block first atom: 39320
Blocpdb> 103 atoms in block 398
Block first atom: 39420
Blocpdb> 111 atoms in block 399
Block first atom: 39523
Blocpdb> 108 atoms in block 400
Block first atom: 39634
Blocpdb> 103 atoms in block 401
Block first atom: 39742
Blocpdb> 114 atoms in block 402
Block first atom: 39845
Blocpdb> 105 atoms in block 403
Block first atom: 39959
Blocpdb> 96 atoms in block 404
Block first atom: 40064
Blocpdb> 101 atoms in block 405
Block first atom: 40160
Blocpdb> 90 atoms in block 406
Block first atom: 40261
Blocpdb> 109 atoms in block 407
Block first atom: 40351
Blocpdb> 104 atoms in block 408
Block first atom: 40460
Blocpdb> 83 atoms in block 409
Block first atom: 40564
Blocpdb> 89 atoms in block 410
Block first atom: 40647
Blocpdb> 95 atoms in block 411
Block first atom: 40736
Blocpdb> 10 atoms in block 412
Block first atom: 40830
Blocpdb> 412 blocks.
Blocpdb> At most, 120 atoms in each of them.
Blocpdb> At least, 10 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: 44236801 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 0m0.195s
user 0m0.182s
sys 0m0.013s
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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