*** 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 = 2607020550181892238.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 2607020550181892238.atom to be opened.
Openam> File opened: 2607020550181892238.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 = 2607020550181892238.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 10
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 2607020550181892238.atom to be opened.
Openam> file on opening on unit 11:
2607020550181892238.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> 10 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 68 atoms in block 1
Block first atom: 1
Blocpdb> 65 atoms in block 2
Block first atom: 69
Blocpdb> 69 atoms in block 3
Block first atom: 134
Blocpdb> 70 atoms in block 4
Block first atom: 203
Blocpdb> 71 atoms in block 5
Block first atom: 273
Blocpdb> 72 atoms in block 6
Block first atom: 344
Blocpdb> 77 atoms in block 7
Block first atom: 416
Blocpdb> 65 atoms in block 8
Block first atom: 493
Blocpdb> 72 atoms in block 9
Block first atom: 558
Blocpdb> 85 atoms in block 10
Block first atom: 630
Blocpdb> 78 atoms in block 11
Block first atom: 715
Blocpdb> 71 atoms in block 12
Block first atom: 793
Blocpdb> 75 atoms in block 13
Block first atom: 864
Blocpdb> 76 atoms in block 14
Block first atom: 939
Blocpdb> 83 atoms in block 15
Block first atom: 1015
Blocpdb> 79 atoms in block 16
Block first atom: 1098
Blocpdb> 77 atoms in block 17
Block first atom: 1177
Blocpdb> 75 atoms in block 18
Block first atom: 1254
Blocpdb> 81 atoms in block 19
Block first atom: 1329
Blocpdb> 82 atoms in block 20
Block first atom: 1410
Blocpdb> 72 atoms in block 21
Block first atom: 1492
Blocpdb> 77 atoms in block 22
Block first atom: 1564
Blocpdb> 73 atoms in block 23
Block first atom: 1641
Blocpdb> 80 atoms in block 24
Block first atom: 1714
Blocpdb> 80 atoms in block 25
Block first atom: 1794
Blocpdb> 76 atoms in block 26
Block first atom: 1874
Blocpdb> 79 atoms in block 27
Block first atom: 1950
Blocpdb> 78 atoms in block 28
Block first atom: 2029
Blocpdb> 78 atoms in block 29
Block first atom: 2107
Blocpdb> 77 atoms in block 30
Block first atom: 2185
Blocpdb> 75 atoms in block 31
Block first atom: 2262
Blocpdb> 80 atoms in block 32
Block first atom: 2337
Blocpdb> 71 atoms in block 33
Block first atom: 2417
Blocpdb> 83 atoms in block 34
Block first atom: 2488
Blocpdb> 79 atoms in block 35
Block first atom: 2571
Blocpdb> 84 atoms in block 36
Block first atom: 2650
Blocpdb> 66 atoms in block 37
Block first atom: 2734
Blocpdb> 73 atoms in block 38
Block first atom: 2800
Blocpdb> 74 atoms in block 39
Block first atom: 2873
Blocpdb> 79 atoms in block 40
Block first atom: 2947
Blocpdb> 81 atoms in block 41
Block first atom: 3026
Blocpdb> 73 atoms in block 42
Block first atom: 3107
Blocpdb> 66 atoms in block 43
Block first atom: 3180
Blocpdb> 76 atoms in block 44
Block first atom: 3246
Blocpdb> 80 atoms in block 45
Block first atom: 3322
Blocpdb> 74 atoms in block 46
Block first atom: 3402
Blocpdb> 69 atoms in block 47
Block first atom: 3476
Blocpdb> 72 atoms in block 48
Block first atom: 3545
Blocpdb> 68 atoms in block 49
Block first atom: 3617
Blocpdb> 71 atoms in block 50
Block first atom: 3685
Blocpdb> 73 atoms in block 51
Block first atom: 3756
Blocpdb> 77 atoms in block 52
Block first atom: 3829
Blocpdb> 77 atoms in block 53
Block first atom: 3906
Blocpdb> 74 atoms in block 54
Block first atom: 3983
Blocpdb> 75 atoms in block 55
Block first atom: 4057
Blocpdb> 71 atoms in block 56
Block first atom: 4132
Blocpdb> 69 atoms in block 57
Block first atom: 4203
Blocpdb> 75 atoms in block 58
Block first atom: 4272
Blocpdb> 78 atoms in block 59
Block first atom: 4347
Blocpdb> 64 atoms in block 60
Block first atom: 4425
Blocpdb> 81 atoms in block 61
Block first atom: 4489
Blocpdb> 69 atoms in block 62
Block first atom: 4570
Blocpdb> 72 atoms in block 63
Block first atom: 4639
Blocpdb> 82 atoms in block 64
Block first atom: 4711
Blocpdb> 69 atoms in block 65
Block first atom: 4793
Blocpdb> 79 atoms in block 66
Block first atom: 4862
Blocpdb> 74 atoms in block 67
Block first atom: 4941
Blocpdb> 74 atoms in block 68
Block first atom: 5015
Blocpdb> 76 atoms in block 69
Block first atom: 5089
Blocpdb> 65 atoms in block 70
Block first atom: 5165
Blocpdb> 78 atoms in block 71
Block first atom: 5230
Blocpdb> 74 atoms in block 72
Block first atom: 5308
Blocpdb> 91 atoms in block 73
Block first atom: 5382
Blocpdb> 87 atoms in block 74
Block first atom: 5473
Blocpdb> 80 atoms in block 75
Block first atom: 5560
Blocpdb> 86 atoms in block 76
Block first atom: 5640
Blocpdb> 67 atoms in block 77
Block first atom: 5726
Blocpdb> 79 atoms in block 78
Block first atom: 5793
Blocpdb> 82 atoms in block 79
Block first atom: 5872
Blocpdb> 67 atoms in block 80
Block first atom: 5954
Blocpdb> 68 atoms in block 81
Block first atom: 6021
Blocpdb> 67 atoms in block 82
Block first atom: 6089
Blocpdb> 83 atoms in block 83
Block first atom: 6156
Blocpdb> 84 atoms in block 84
Block first atom: 6239
Blocpdb> 83 atoms in block 85
Block first atom: 6323
Blocpdb> 83 atoms in block 86
Block first atom: 6406
Blocpdb> 88 atoms in block 87
Block first atom: 6489
Blocpdb> 79 atoms in block 88
Block first atom: 6577
Blocpdb> 79 atoms in block 89
Block first atom: 6656
Blocpdb> 86 atoms in block 90
Block first atom: 6735
Blocpdb> 85 atoms in block 91
Block first atom: 6821
Blocpdb> 73 atoms in block 92
Block first atom: 6906
Blocpdb> 82 atoms in block 93
Block first atom: 6979
Blocpdb> 89 atoms in block 94
Block first atom: 7061
Blocpdb> 84 atoms in block 95
Block first atom: 7150
Blocpdb> 67 atoms in block 96
Block first atom: 7234
Blocpdb> 73 atoms in block 97
Block first atom: 7301
Blocpdb> 63 atoms in block 98
Block first atom: 7374
Blocpdb> 94 atoms in block 99
Block first atom: 7437
Blocpdb> 85 atoms in block 100
Block first atom: 7531
Blocpdb> 72 atoms in block 101
Block first atom: 7616
Blocpdb> 88 atoms in block 102
Block first atom: 7688
Blocpdb> 77 atoms in block 103
Block first atom: 7776
Blocpdb> 81 atoms in block 104
Block first atom: 7853
Blocpdb> 78 atoms in block 105
Block first atom: 7934
Blocpdb> 80 atoms in block 106
Block first atom: 8012
Blocpdb> 79 atoms in block 107
Block first atom: 8092
Blocpdb> 92 atoms in block 108
Block first atom: 8171
Blocpdb> 84 atoms in block 109
Block first atom: 8263
Blocpdb> 87 atoms in block 110
Block first atom: 8347
Blocpdb> 75 atoms in block 111
Block first atom: 8434
Blocpdb> 75 atoms in block 112
Block first atom: 8509
Blocpdb> 98 atoms in block 113
Block first atom: 8584
Blocpdb> 79 atoms in block 114
Block first atom: 8682
Blocpdb> 74 atoms in block 115
Block first atom: 8761
Blocpdb> 86 atoms in block 116
Block first atom: 8835
Blocpdb> 83 atoms in block 117
Block first atom: 8921
Blocpdb> 87 atoms in block 118
Block first atom: 9004
Blocpdb> 70 atoms in block 119
Block first atom: 9091
Blocpdb> 92 atoms in block 120
Block first atom: 9161
Blocpdb> 85 atoms in block 121
Block first atom: 9253
Blocpdb> 76 atoms in block 122
Block first atom: 9338
Blocpdb> 74 atoms in block 123
Block first atom: 9414
Blocpdb> 85 atoms in block 124
Block first atom: 9488
Blocpdb> 72 atoms in block 125
Block first atom: 9573
Blocpdb> 71 atoms in block 126
Block first atom: 9645
Blocpdb> 78 atoms in block 127
Block first atom: 9716
Blocpdb> 90 atoms in block 128
Block first atom: 9794
Blocpdb> 64 atoms in block 129
Block first atom: 9884
Blocpdb> 69 atoms in block 130
Block first atom: 9948
Blocpdb> 68 atoms in block 131
Block first atom: 10017
Blocpdb> 74 atoms in block 132
Block first atom: 10085
Blocpdb> 52 atoms in block 133
Block first atom: 10159
Blocpdb> 68 atoms in block 134
Block first atom: 10211
Blocpdb> 65 atoms in block 135
Block first atom: 10279
Blocpdb> 69 atoms in block 136
Block first atom: 10344
Blocpdb> 70 atoms in block 137
Block first atom: 10413
Blocpdb> 71 atoms in block 138
Block first atom: 10483
Blocpdb> 72 atoms in block 139
Block first atom: 10554
Blocpdb> 77 atoms in block 140
Block first atom: 10626
Blocpdb> 65 atoms in block 141
Block first atom: 10703
Blocpdb> 72 atoms in block 142
Block first atom: 10768
Blocpdb> 85 atoms in block 143
Block first atom: 10840
Blocpdb> 78 atoms in block 144
Block first atom: 10925
Blocpdb> 71 atoms in block 145
Block first atom: 11003
Blocpdb> 75 atoms in block 146
Block first atom: 11074
Blocpdb> 76 atoms in block 147
Block first atom: 11149
Blocpdb> 83 atoms in block 148
Block first atom: 11225
Blocpdb> 79 atoms in block 149
Block first atom: 11308
Blocpdb> 77 atoms in block 150
Block first atom: 11387
Blocpdb> 75 atoms in block 151
Block first atom: 11464
Blocpdb> 81 atoms in block 152
Block first atom: 11539
Blocpdb> 82 atoms in block 153
Block first atom: 11620
Blocpdb> 72 atoms in block 154
Block first atom: 11702
Blocpdb> 77 atoms in block 155
Block first atom: 11774
Blocpdb> 73 atoms in block 156
Block first atom: 11851
Blocpdb> 80 atoms in block 157
Block first atom: 11924
Blocpdb> 80 atoms in block 158
Block first atom: 12004
Blocpdb> 76 atoms in block 159
Block first atom: 12084
Blocpdb> 79 atoms in block 160
Block first atom: 12160
Blocpdb> 78 atoms in block 161
Block first atom: 12239
Blocpdb> 78 atoms in block 162
Block first atom: 12317
Blocpdb> 77 atoms in block 163
Block first atom: 12395
Blocpdb> 75 atoms in block 164
Block first atom: 12472
Blocpdb> 80 atoms in block 165
Block first atom: 12547
Blocpdb> 71 atoms in block 166
Block first atom: 12627
Blocpdb> 83 atoms in block 167
Block first atom: 12698
Blocpdb> 79 atoms in block 168
Block first atom: 12781
Blocpdb> 84 atoms in block 169
Block first atom: 12860
Blocpdb> 66 atoms in block 170
Block first atom: 12944
Blocpdb> 73 atoms in block 171
Block first atom: 13010
Blocpdb> 74 atoms in block 172
Block first atom: 13083
Blocpdb> 79 atoms in block 173
Block first atom: 13157
Blocpdb> 81 atoms in block 174
Block first atom: 13236
Blocpdb> 73 atoms in block 175
Block first atom: 13317
Blocpdb> 66 atoms in block 176
Block first atom: 13390
Blocpdb> 76 atoms in block 177
Block first atom: 13456
Blocpdb> 80 atoms in block 178
Block first atom: 13532
Blocpdb> 74 atoms in block 179
Block first atom: 13612
Blocpdb> 69 atoms in block 180
Block first atom: 13686
Blocpdb> 72 atoms in block 181
Block first atom: 13755
Blocpdb> 68 atoms in block 182
Block first atom: 13827
Blocpdb> 71 atoms in block 183
Block first atom: 13895
Blocpdb> 73 atoms in block 184
Block first atom: 13966
Blocpdb> 77 atoms in block 185
Block first atom: 14039
Blocpdb> 77 atoms in block 186
Block first atom: 14116
Blocpdb> 74 atoms in block 187
Block first atom: 14193
Blocpdb> 75 atoms in block 188
Block first atom: 14267
Blocpdb> 71 atoms in block 189
Block first atom: 14342
Blocpdb> 69 atoms in block 190
Block first atom: 14413
Blocpdb> 75 atoms in block 191
Block first atom: 14482
Blocpdb> 78 atoms in block 192
Block first atom: 14557
Blocpdb> 64 atoms in block 193
Block first atom: 14635
Blocpdb> 81 atoms in block 194
Block first atom: 14699
Blocpdb> 69 atoms in block 195
Block first atom: 14780
Blocpdb> 72 atoms in block 196
Block first atom: 14849
Blocpdb> 82 atoms in block 197
Block first atom: 14921
Blocpdb> 69 atoms in block 198
Block first atom: 15003
Blocpdb> 79 atoms in block 199
Block first atom: 15072
Blocpdb> 74 atoms in block 200
Block first atom: 15151
Blocpdb> 74 atoms in block 201
Block first atom: 15225
Blocpdb> 76 atoms in block 202
Block first atom: 15299
Blocpdb> 65 atoms in block 203
Block first atom: 15375
Blocpdb> 78 atoms in block 204
Block first atom: 15440
Blocpdb> 74 atoms in block 205
Block first atom: 15518
Blocpdb> 91 atoms in block 206
Block first atom: 15592
Blocpdb> 87 atoms in block 207
Block first atom: 15683
Blocpdb> 80 atoms in block 208
Block first atom: 15770
Blocpdb> 86 atoms in block 209
Block first atom: 15850
Blocpdb> 67 atoms in block 210
Block first atom: 15936
Blocpdb> 79 atoms in block 211
Block first atom: 16003
Blocpdb> 82 atoms in block 212
Block first atom: 16082
Blocpdb> 67 atoms in block 213
Block first atom: 16164
Blocpdb> 68 atoms in block 214
Block first atom: 16231
Blocpdb> 67 atoms in block 215
Block first atom: 16299
Blocpdb> 83 atoms in block 216
Block first atom: 16366
Blocpdb> 84 atoms in block 217
Block first atom: 16449
Blocpdb> 83 atoms in block 218
Block first atom: 16533
Blocpdb> 83 atoms in block 219
Block first atom: 16616
Blocpdb> 88 atoms in block 220
Block first atom: 16699
Blocpdb> 79 atoms in block 221
Block first atom: 16787
Blocpdb> 79 atoms in block 222
Block first atom: 16866
Blocpdb> 86 atoms in block 223
Block first atom: 16945
Blocpdb> 85 atoms in block 224
Block first atom: 17031
Blocpdb> 73 atoms in block 225
Block first atom: 17116
Blocpdb> 82 atoms in block 226
Block first atom: 17189
Blocpdb> 89 atoms in block 227
Block first atom: 17271
Blocpdb> 84 atoms in block 228
Block first atom: 17360
Blocpdb> 67 atoms in block 229
Block first atom: 17444
Blocpdb> 73 atoms in block 230
Block first atom: 17511
Blocpdb> 63 atoms in block 231
Block first atom: 17584
Blocpdb> 94 atoms in block 232
Block first atom: 17647
Blocpdb> 85 atoms in block 233
Block first atom: 17741
Blocpdb> 72 atoms in block 234
Block first atom: 17826
Blocpdb> 88 atoms in block 235
Block first atom: 17898
Blocpdb> 77 atoms in block 236
Block first atom: 17986
Blocpdb> 81 atoms in block 237
Block first atom: 18063
Blocpdb> 78 atoms in block 238
Block first atom: 18144
Blocpdb> 80 atoms in block 239
Block first atom: 18222
Blocpdb> 79 atoms in block 240
Block first atom: 18302
Blocpdb> 92 atoms in block 241
Block first atom: 18381
Blocpdb> 84 atoms in block 242
Block first atom: 18473
Blocpdb> 87 atoms in block 243
Block first atom: 18557
Blocpdb> 75 atoms in block 244
Block first atom: 18644
Blocpdb> 75 atoms in block 245
Block first atom: 18719
Blocpdb> 98 atoms in block 246
Block first atom: 18794
Blocpdb> 79 atoms in block 247
Block first atom: 18892
Blocpdb> 74 atoms in block 248
Block first atom: 18971
Blocpdb> 86 atoms in block 249
Block first atom: 19045
Blocpdb> 83 atoms in block 250
Block first atom: 19131
Blocpdb> 87 atoms in block 251
Block first atom: 19214
Blocpdb> 70 atoms in block 252
Block first atom: 19301
Blocpdb> 92 atoms in block 253
Block first atom: 19371
Blocpdb> 85 atoms in block 254
Block first atom: 19463
Blocpdb> 76 atoms in block 255
Block first atom: 19548
Blocpdb> 74 atoms in block 256
Block first atom: 19624
Blocpdb> 85 atoms in block 257
Block first atom: 19698
Blocpdb> 72 atoms in block 258
Block first atom: 19783
Blocpdb> 71 atoms in block 259
Block first atom: 19855
Blocpdb> 78 atoms in block 260
Block first atom: 19926
Blocpdb> 90 atoms in block 261
Block first atom: 20004
Blocpdb> 64 atoms in block 262
Block first atom: 20094
Blocpdb> 69 atoms in block 263
Block first atom: 20158
Blocpdb> 68 atoms in block 264
Block first atom: 20227
Blocpdb> 74 atoms in block 265
Block first atom: 20295
Blocpdb> 52 atoms in block 266
Block first atom: 20369
Blocpdb> 68 atoms in block 267
Block first atom: 20421
Blocpdb> 65 atoms in block 268
Block first atom: 20489
Blocpdb> 69 atoms in block 269
Block first atom: 20554
Blocpdb> 70 atoms in block 270
Block first atom: 20623
Blocpdb> 71 atoms in block 271
Block first atom: 20693
Blocpdb> 72 atoms in block 272
Block first atom: 20764
Blocpdb> 77 atoms in block 273
Block first atom: 20836
Blocpdb> 65 atoms in block 274
Block first atom: 20913
Blocpdb> 72 atoms in block 275
Block first atom: 20978
Blocpdb> 85 atoms in block 276
Block first atom: 21050
Blocpdb> 78 atoms in block 277
Block first atom: 21135
Blocpdb> 71 atoms in block 278
Block first atom: 21213
Blocpdb> 75 atoms in block 279
Block first atom: 21284
Blocpdb> 76 atoms in block 280
Block first atom: 21359
Blocpdb> 83 atoms in block 281
Block first atom: 21435
Blocpdb> 79 atoms in block 282
Block first atom: 21518
Blocpdb> 77 atoms in block 283
Block first atom: 21597
Blocpdb> 75 atoms in block 284
Block first atom: 21674
Blocpdb> 81 atoms in block 285
Block first atom: 21749
Blocpdb> 82 atoms in block 286
Block first atom: 21830
Blocpdb> 72 atoms in block 287
Block first atom: 21912
Blocpdb> 77 atoms in block 288
Block first atom: 21984
Blocpdb> 73 atoms in block 289
Block first atom: 22061
Blocpdb> 80 atoms in block 290
Block first atom: 22134
Blocpdb> 80 atoms in block 291
Block first atom: 22214
Blocpdb> 76 atoms in block 292
Block first atom: 22294
Blocpdb> 79 atoms in block 293
Block first atom: 22370
Blocpdb> 78 atoms in block 294
Block first atom: 22449
Blocpdb> 78 atoms in block 295
Block first atom: 22527
Blocpdb> 77 atoms in block 296
Block first atom: 22605
Blocpdb> 75 atoms in block 297
Block first atom: 22682
Blocpdb> 80 atoms in block 298
Block first atom: 22757
Blocpdb> 71 atoms in block 299
Block first atom: 22837
Blocpdb> 83 atoms in block 300
Block first atom: 22908
Blocpdb> 79 atoms in block 301
Block first atom: 22991
Blocpdb> 84 atoms in block 302
Block first atom: 23070
Blocpdb> 66 atoms in block 303
Block first atom: 23154
Blocpdb> 73 atoms in block 304
Block first atom: 23220
Blocpdb> 74 atoms in block 305
Block first atom: 23293
Blocpdb> 79 atoms in block 306
Block first atom: 23367
Blocpdb> 81 atoms in block 307
Block first atom: 23446
Blocpdb> 73 atoms in block 308
Block first atom: 23527
Blocpdb> 66 atoms in block 309
Block first atom: 23600
Blocpdb> 76 atoms in block 310
Block first atom: 23666
Blocpdb> 80 atoms in block 311
Block first atom: 23742
Blocpdb> 74 atoms in block 312
Block first atom: 23822
Blocpdb> 69 atoms in block 313
Block first atom: 23896
Blocpdb> 72 atoms in block 314
Block first atom: 23965
Blocpdb> 68 atoms in block 315
Block first atom: 24037
Blocpdb> 71 atoms in block 316
Block first atom: 24105
Blocpdb> 73 atoms in block 317
Block first atom: 24176
Blocpdb> 77 atoms in block 318
Block first atom: 24249
Blocpdb> 77 atoms in block 319
Block first atom: 24326
Blocpdb> 74 atoms in block 320
Block first atom: 24403
Blocpdb> 75 atoms in block 321
Block first atom: 24477
Blocpdb> 71 atoms in block 322
Block first atom: 24552
Blocpdb> 69 atoms in block 323
Block first atom: 24623
Blocpdb> 75 atoms in block 324
Block first atom: 24692
Blocpdb> 78 atoms in block 325
Block first atom: 24767
Blocpdb> 64 atoms in block 326
Block first atom: 24845
Blocpdb> 81 atoms in block 327
Block first atom: 24909
Blocpdb> 69 atoms in block 328
Block first atom: 24990
Blocpdb> 72 atoms in block 329
Block first atom: 25059
Blocpdb> 82 atoms in block 330
Block first atom: 25131
Blocpdb> 69 atoms in block 331
Block first atom: 25213
Blocpdb> 79 atoms in block 332
Block first atom: 25282
Blocpdb> 74 atoms in block 333
Block first atom: 25361
Blocpdb> 74 atoms in block 334
Block first atom: 25435
Blocpdb> 76 atoms in block 335
Block first atom: 25509
Blocpdb> 65 atoms in block 336
Block first atom: 25585
Blocpdb> 78 atoms in block 337
Block first atom: 25650
Blocpdb> 74 atoms in block 338
Block first atom: 25728
Blocpdb> 91 atoms in block 339
Block first atom: 25802
Blocpdb> 87 atoms in block 340
Block first atom: 25893
Blocpdb> 80 atoms in block 341
Block first atom: 25980
Blocpdb> 86 atoms in block 342
Block first atom: 26060
Blocpdb> 67 atoms in block 343
Block first atom: 26146
Blocpdb> 79 atoms in block 344
Block first atom: 26213
Blocpdb> 82 atoms in block 345
Block first atom: 26292
Blocpdb> 67 atoms in block 346
Block first atom: 26374
Blocpdb> 68 atoms in block 347
Block first atom: 26441
Blocpdb> 67 atoms in block 348
Block first atom: 26509
Blocpdb> 83 atoms in block 349
Block first atom: 26576
Blocpdb> 84 atoms in block 350
Block first atom: 26659
Blocpdb> 83 atoms in block 351
Block first atom: 26743
Blocpdb> 83 atoms in block 352
Block first atom: 26826
Blocpdb> 88 atoms in block 353
Block first atom: 26909
Blocpdb> 79 atoms in block 354
Block first atom: 26997
Blocpdb> 79 atoms in block 355
Block first atom: 27076
Blocpdb> 86 atoms in block 356
Block first atom: 27155
Blocpdb> 85 atoms in block 357
Block first atom: 27241
Blocpdb> 73 atoms in block 358
Block first atom: 27326
Blocpdb> 82 atoms in block 359
Block first atom: 27399
Blocpdb> 89 atoms in block 360
Block first atom: 27481
Blocpdb> 84 atoms in block 361
Block first atom: 27570
Blocpdb> 67 atoms in block 362
Block first atom: 27654
Blocpdb> 73 atoms in block 363
Block first atom: 27721
Blocpdb> 63 atoms in block 364
Block first atom: 27794
Blocpdb> 94 atoms in block 365
Block first atom: 27857
Blocpdb> 85 atoms in block 366
Block first atom: 27951
Blocpdb> 72 atoms in block 367
Block first atom: 28036
Blocpdb> 88 atoms in block 368
Block first atom: 28108
Blocpdb> 77 atoms in block 369
Block first atom: 28196
Blocpdb> 81 atoms in block 370
Block first atom: 28273
Blocpdb> 78 atoms in block 371
Block first atom: 28354
Blocpdb> 80 atoms in block 372
Block first atom: 28432
Blocpdb> 79 atoms in block 373
Block first atom: 28512
Blocpdb> 92 atoms in block 374
Block first atom: 28591
Blocpdb> 84 atoms in block 375
Block first atom: 28683
Blocpdb> 87 atoms in block 376
Block first atom: 28767
Blocpdb> 75 atoms in block 377
Block first atom: 28854
Blocpdb> 75 atoms in block 378
Block first atom: 28929
Blocpdb> 98 atoms in block 379
Block first atom: 29004
Blocpdb> 79 atoms in block 380
Block first atom: 29102
Blocpdb> 74 atoms in block 381
Block first atom: 29181
Blocpdb> 86 atoms in block 382
Block first atom: 29255
Blocpdb> 83 atoms in block 383
Block first atom: 29341
Blocpdb> 87 atoms in block 384
Block first atom: 29424
Blocpdb> 70 atoms in block 385
Block first atom: 29511
Blocpdb> 92 atoms in block 386
Block first atom: 29581
Blocpdb> 85 atoms in block 387
Block first atom: 29673
Blocpdb> 76 atoms in block 388
Block first atom: 29758
Blocpdb> 74 atoms in block 389
Block first atom: 29834
Blocpdb> 85 atoms in block 390
Block first atom: 29908
Blocpdb> 72 atoms in block 391
Block first atom: 29993
Blocpdb> 71 atoms in block 392
Block first atom: 30065
Blocpdb> 78 atoms in block 393
Block first atom: 30136
Blocpdb> 90 atoms in block 394
Block first atom: 30214
Blocpdb> 64 atoms in block 395
Block first atom: 30304
Blocpdb> 69 atoms in block 396
Block first atom: 30368
Blocpdb> 68 atoms in block 397
Block first atom: 30437
Blocpdb> 74 atoms in block 398
Block first atom: 30505
Blocpdb> 52 atoms in block 399
Block first atom: 30579
Blocpdb> 68 atoms in block 400
Block first atom: 30631
Blocpdb> 65 atoms in block 401
Block first atom: 30699
Blocpdb> 69 atoms in block 402
Block first atom: 30764
Blocpdb> 70 atoms in block 403
Block first atom: 30833
Blocpdb> 71 atoms in block 404
Block first atom: 30903
Blocpdb> 72 atoms in block 405
Block first atom: 30974
Blocpdb> 77 atoms in block 406
Block first atom: 31046
Blocpdb> 65 atoms in block 407
Block first atom: 31123
Blocpdb> 72 atoms in block 408
Block first atom: 31188
Blocpdb> 85 atoms in block 409
Block first atom: 31260
Blocpdb> 78 atoms in block 410
Block first atom: 31345
Blocpdb> 71 atoms in block 411
Block first atom: 31423
Blocpdb> 75 atoms in block 412
Block first atom: 31494
Blocpdb> 76 atoms in block 413
Block first atom: 31569
Blocpdb> 83 atoms in block 414
Block first atom: 31645
Blocpdb> 79 atoms in block 415
Block first atom: 31728
Blocpdb> 77 atoms in block 416
Block first atom: 31807
Blocpdb> 75 atoms in block 417
Block first atom: 31884
Blocpdb> 81 atoms in block 418
Block first atom: 31959
Blocpdb> 82 atoms in block 419
Block first atom: 32040
Blocpdb> 72 atoms in block 420
Block first atom: 32122
Blocpdb> 77 atoms in block 421
Block first atom: 32194
Blocpdb> 73 atoms in block 422
Block first atom: 32271
Blocpdb> 80 atoms in block 423
Block first atom: 32344
Blocpdb> 80 atoms in block 424
Block first atom: 32424
Blocpdb> 76 atoms in block 425
Block first atom: 32504
Blocpdb> 79 atoms in block 426
Block first atom: 32580
Blocpdb> 78 atoms in block 427
Block first atom: 32659
Blocpdb> 78 atoms in block 428
Block first atom: 32737
Blocpdb> 77 atoms in block 429
Block first atom: 32815
Blocpdb> 75 atoms in block 430
Block first atom: 32892
Blocpdb> 80 atoms in block 431
Block first atom: 32967
Blocpdb> 71 atoms in block 432
Block first atom: 33047
Blocpdb> 83 atoms in block 433
Block first atom: 33118
Blocpdb> 79 atoms in block 434
Block first atom: 33201
Blocpdb> 84 atoms in block 435
Block first atom: 33280
Blocpdb> 66 atoms in block 436
Block first atom: 33364
Blocpdb> 73 atoms in block 437
Block first atom: 33430
Blocpdb> 74 atoms in block 438
Block first atom: 33503
Blocpdb> 79 atoms in block 439
Block first atom: 33577
Blocpdb> 81 atoms in block 440
Block first atom: 33656
Blocpdb> 73 atoms in block 441
Block first atom: 33737
Blocpdb> 66 atoms in block 442
Block first atom: 33810
Blocpdb> 76 atoms in block 443
Block first atom: 33876
Blocpdb> 80 atoms in block 444
Block first atom: 33952
Blocpdb> 74 atoms in block 445
Block first atom: 34032
Blocpdb> 69 atoms in block 446
Block first atom: 34106
Blocpdb> 72 atoms in block 447
Block first atom: 34175
Blocpdb> 68 atoms in block 448
Block first atom: 34247
Blocpdb> 71 atoms in block 449
Block first atom: 34315
Blocpdb> 73 atoms in block 450
Block first atom: 34386
Blocpdb> 77 atoms in block 451
Block first atom: 34459
Blocpdb> 77 atoms in block 452
Block first atom: 34536
Blocpdb> 74 atoms in block 453
Block first atom: 34613
Blocpdb> 75 atoms in block 454
Block first atom: 34687
Blocpdb> 71 atoms in block 455
Block first atom: 34762
Blocpdb> 69 atoms in block 456
Block first atom: 34833
Blocpdb> 75 atoms in block 457
Block first atom: 34902
Blocpdb> 78 atoms in block 458
Block first atom: 34977
Blocpdb> 64 atoms in block 459
Block first atom: 35055
Blocpdb> 81 atoms in block 460
Block first atom: 35119
Blocpdb> 69 atoms in block 461
Block first atom: 35200
Blocpdb> 72 atoms in block 462
Block first atom: 35269
Blocpdb> 82 atoms in block 463
Block first atom: 35341
Blocpdb> 69 atoms in block 464
Block first atom: 35423
Blocpdb> 79 atoms in block 465
Block first atom: 35492
Blocpdb> 74 atoms in block 466
Block first atom: 35571
Blocpdb> 74 atoms in block 467
Block first atom: 35645
Blocpdb> 76 atoms in block 468
Block first atom: 35719
Blocpdb> 65 atoms in block 469
Block first atom: 35795
Blocpdb> 78 atoms in block 470
Block first atom: 35860
Blocpdb> 74 atoms in block 471
Block first atom: 35938
Blocpdb> 91 atoms in block 472
Block first atom: 36012
Blocpdb> 87 atoms in block 473
Block first atom: 36103
Blocpdb> 80 atoms in block 474
Block first atom: 36190
Blocpdb> 86 atoms in block 475
Block first atom: 36270
Blocpdb> 67 atoms in block 476
Block first atom: 36356
Blocpdb> 79 atoms in block 477
Block first atom: 36423
Blocpdb> 82 atoms in block 478
Block first atom: 36502
Blocpdb> 67 atoms in block 479
Block first atom: 36584
Blocpdb> 68 atoms in block 480
Block first atom: 36651
Blocpdb> 67 atoms in block 481
Block first atom: 36719
Blocpdb> 83 atoms in block 482
Block first atom: 36786
Blocpdb> 84 atoms in block 483
Block first atom: 36869
Blocpdb> 83 atoms in block 484
Block first atom: 36953
Blocpdb> 83 atoms in block 485
Block first atom: 37036
Blocpdb> 88 atoms in block 486
Block first atom: 37119
Blocpdb> 79 atoms in block 487
Block first atom: 37207
Blocpdb> 79 atoms in block 488
Block first atom: 37286
Blocpdb> 86 atoms in block 489
Block first atom: 37365
Blocpdb> 85 atoms in block 490
Block first atom: 37451
Blocpdb> 73 atoms in block 491
Block first atom: 37536
Blocpdb> 82 atoms in block 492
Block first atom: 37609
Blocpdb> 89 atoms in block 493
Block first atom: 37691
Blocpdb> 84 atoms in block 494
Block first atom: 37780
Blocpdb> 67 atoms in block 495
Block first atom: 37864
Blocpdb> 73 atoms in block 496
Block first atom: 37931
Blocpdb> 63 atoms in block 497
Block first atom: 38004
Blocpdb> 94 atoms in block 498
Block first atom: 38067
Blocpdb> 85 atoms in block 499
Block first atom: 38161
Blocpdb> 72 atoms in block 500
Block first atom: 38246
Blocpdb> 88 atoms in block 501
Block first atom: 38318
Blocpdb> 77 atoms in block 502
Block first atom: 38406
Blocpdb> 81 atoms in block 503
Block first atom: 38483
Blocpdb> 78 atoms in block 504
Block first atom: 38564
Blocpdb> 80 atoms in block 505
Block first atom: 38642
Blocpdb> 79 atoms in block 506
Block first atom: 38722
Blocpdb> 92 atoms in block 507
Block first atom: 38801
Blocpdb> 84 atoms in block 508
Block first atom: 38893
Blocpdb> 87 atoms in block 509
Block first atom: 38977
Blocpdb> 75 atoms in block 510
Block first atom: 39064
Blocpdb> 75 atoms in block 511
Block first atom: 39139
Blocpdb> 98 atoms in block 512
Block first atom: 39214
Blocpdb> 79 atoms in block 513
Block first atom: 39312
Blocpdb> 74 atoms in block 514
Block first atom: 39391
Blocpdb> 86 atoms in block 515
Block first atom: 39465
Blocpdb> 83 atoms in block 516
Block first atom: 39551
Blocpdb> 87 atoms in block 517
Block first atom: 39634
Blocpdb> 70 atoms in block 518
Block first atom: 39721
Blocpdb> 92 atoms in block 519
Block first atom: 39791
Blocpdb> 85 atoms in block 520
Block first atom: 39883
Blocpdb> 76 atoms in block 521
Block first atom: 39968
Blocpdb> 74 atoms in block 522
Block first atom: 40044
Blocpdb> 85 atoms in block 523
Block first atom: 40118
Blocpdb> 72 atoms in block 524
Block first atom: 40203
Blocpdb> 71 atoms in block 525
Block first atom: 40275
Blocpdb> 78 atoms in block 526
Block first atom: 40346
Blocpdb> 90 atoms in block 527
Block first atom: 40424
Blocpdb> 64 atoms in block 528
Block first atom: 40514
Blocpdb> 69 atoms in block 529
Block first atom: 40578
Blocpdb> 68 atoms in block 530
Block first atom: 40647
Blocpdb> 74 atoms in block 531
Block first atom: 40715
Blocpdb> 52 atoms in block 532
Block first atom: 40788
Blocpdb> 532 blocks.
Blocpdb> At most, 98 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: 36107317 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 0m0.223s
user 0m0.209s
sys 0m0.014s
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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