*** 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 = 2607020531451889861.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 2607020531451889861.atom to be opened.
Openam> File opened: 2607020531451889861.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 = 2607020531451889861.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 14
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 2607020531451889861.atom to be opened.
Openam> file on opening on unit 11:
2607020531451889861.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> 14 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 91 atoms in block 1
Block first atom: 1
Blocpdb> 94 atoms in block 2
Block first atom: 92
Blocpdb> 98 atoms in block 3
Block first atom: 186
Blocpdb> 98 atoms in block 4
Block first atom: 284
Blocpdb> 111 atoms in block 5
Block first atom: 382
Blocpdb> 97 atoms in block 6
Block first atom: 493
Blocpdb> 108 atoms in block 7
Block first atom: 590
Blocpdb> 112 atoms in block 8
Block first atom: 698
Blocpdb> 104 atoms in block 9
Block first atom: 810
Blocpdb> 101 atoms in block 10
Block first atom: 914
Blocpdb> 115 atoms in block 11
Block first atom: 1015
Blocpdb> 109 atoms in block 12
Block first atom: 1130
Blocpdb> 105 atoms in block 13
Block first atom: 1239
Blocpdb> 114 atoms in block 14
Block first atom: 1344
Blocpdb> 106 atoms in block 15
Block first atom: 1458
Blocpdb> 110 atoms in block 16
Block first atom: 1564
Blocpdb> 104 atoms in block 17
Block first atom: 1674
Blocpdb> 111 atoms in block 18
Block first atom: 1778
Blocpdb> 105 atoms in block 19
Block first atom: 1889
Blocpdb> 113 atoms in block 20
Block first atom: 1994
Blocpdb> 109 atoms in block 21
Block first atom: 2107
Blocpdb> 106 atoms in block 22
Block first atom: 2216
Blocpdb> 110 atoms in block 23
Block first atom: 2322
Blocpdb> 104 atoms in block 24
Block first atom: 2432
Blocpdb> 114 atoms in block 25
Block first atom: 2536
Blocpdb> 107 atoms in block 26
Block first atom: 2650
Blocpdb> 103 atoms in block 27
Block first atom: 2757
Blocpdb> 102 atoms in block 28
Block first atom: 2860
Blocpdb> 108 atoms in block 29
Block first atom: 2962
Blocpdb> 110 atoms in block 30
Block first atom: 3070
Blocpdb> 93 atoms in block 31
Block first atom: 3180
Blocpdb> 114 atoms in block 32
Block first atom: 3273
Blocpdb> 104 atoms in block 33
Block first atom: 3387
Blocpdb> 95 atoms in block 34
Block first atom: 3491
Blocpdb> 99 atoms in block 35
Block first atom: 3586
Blocpdb> 97 atoms in block 36
Block first atom: 3685
Blocpdb> 110 atoms in block 37
Block first atom: 3782
Blocpdb> 101 atoms in block 38
Block first atom: 3892
Blocpdb> 113 atoms in block 39
Block first atom: 3993
Blocpdb> 97 atoms in block 40
Block first atom: 4106
Blocpdb> 99 atoms in block 41
Block first atom: 4203
Blocpdb> 107 atoms in block 42
Block first atom: 4302
Blocpdb> 95 atoms in block 43
Block first atom: 4409
Blocpdb> 104 atoms in block 44
Block first atom: 4504
Blocpdb> 103 atoms in block 45
Block first atom: 4608
Blocpdb> 111 atoms in block 46
Block first atom: 4711
Blocpdb> 107 atoms in block 47
Block first atom: 4822
Blocpdb> 98 atoms in block 48
Block first atom: 4929
Blocpdb> 107 atoms in block 49
Block first atom: 5027
Blocpdb> 96 atoms in block 50
Block first atom: 5134
Blocpdb> 105 atoms in block 51
Block first atom: 5230
Blocpdb> 120 atoms in block 52
Block first atom: 5335
Blocpdb> 124 atoms in block 53
Block first atom: 5455
Blocpdb> 111 atoms in block 54
Block first atom: 5579
Blocpdb> 103 atoms in block 55
Block first atom: 5690
Blocpdb> 110 atoms in block 56
Block first atom: 5793
Blocpdb> 104 atoms in block 57
Block first atom: 5903
Blocpdb> 92 atoms in block 58
Block first atom: 6007
Blocpdb> 105 atoms in block 59
Block first atom: 6099
Blocpdb> 119 atoms in block 60
Block first atom: 6204
Blocpdb> 117 atoms in block 61
Block first atom: 6323
Blocpdb> 121 atoms in block 62
Block first atom: 6440
Blocpdb> 107 atoms in block 63
Block first atom: 6561
Blocpdb> 117 atoms in block 64
Block first atom: 6668
Blocpdb> 121 atoms in block 65
Block first atom: 6785
Blocpdb> 107 atoms in block 66
Block first atom: 6906
Blocpdb> 121 atoms in block 67
Block first atom: 7013
Blocpdb> 115 atoms in block 68
Block first atom: 7134
Blocpdb> 97 atoms in block 69
Block first atom: 7249
Blocpdb> 91 atoms in block 70
Block first atom: 7346
Blocpdb> 128 atoms in block 71
Block first atom: 7437
Blocpdb> 107 atoms in block 72
Block first atom: 7565
Blocpdb> 119 atoms in block 73
Block first atom: 7672
Blocpdb> 108 atoms in block 74
Block first atom: 7791
Blocpdb> 113 atoms in block 75
Block first atom: 7899
Blocpdb> 110 atoms in block 76
Block first atom: 8012
Blocpdb> 125 atoms in block 77
Block first atom: 8122
Blocpdb> 117 atoms in block 78
Block first atom: 8247
Blocpdb> 113 atoms in block 79
Block first atom: 8364
Blocpdb> 107 atoms in block 80
Block first atom: 8477
Blocpdb> 128 atoms in block 81
Block first atom: 8584
Blocpdb> 110 atoms in block 82
Block first atom: 8712
Blocpdb> 113 atoms in block 83
Block first atom: 8822
Blocpdb> 119 atoms in block 84
Block first atom: 8935
Blocpdb> 107 atoms in block 85
Block first atom: 9054
Blocpdb> 122 atoms in block 86
Block first atom: 9161
Blocpdb> 119 atoms in block 87
Block first atom: 9283
Blocpdb> 100 atoms in block 88
Block first atom: 9402
Blocpdb> 112 atoms in block 89
Block first atom: 9502
Blocpdb> 102 atoms in block 90
Block first atom: 9614
Blocpdb> 114 atoms in block 91
Block first atom: 9716
Blocpdb> 108 atoms in block 92
Block first atom: 9830
Blocpdb> 97 atoms in block 93
Block first atom: 9938
Blocpdb> 97 atoms in block 94
Block first atom: 10035
Blocpdb> 79 atoms in block 95
Block first atom: 10132
Blocpdb> 91 atoms in block 96
Block first atom: 10211
Blocpdb> 94 atoms in block 97
Block first atom: 10302
Blocpdb> 98 atoms in block 98
Block first atom: 10396
Blocpdb> 98 atoms in block 99
Block first atom: 10494
Blocpdb> 111 atoms in block 100
Block first atom: 10592
Blocpdb> 97 atoms in block 101
Block first atom: 10703
Blocpdb> 108 atoms in block 102
Block first atom: 10800
Blocpdb> 112 atoms in block 103
Block first atom: 10908
Blocpdb> 104 atoms in block 104
Block first atom: 11020
Blocpdb> 101 atoms in block 105
Block first atom: 11124
Blocpdb> 115 atoms in block 106
Block first atom: 11225
Blocpdb> 109 atoms in block 107
Block first atom: 11340
Blocpdb> 105 atoms in block 108
Block first atom: 11449
Blocpdb> 114 atoms in block 109
Block first atom: 11554
Blocpdb> 106 atoms in block 110
Block first atom: 11668
Blocpdb> 110 atoms in block 111
Block first atom: 11774
Blocpdb> 104 atoms in block 112
Block first atom: 11884
Blocpdb> 111 atoms in block 113
Block first atom: 11988
Blocpdb> 105 atoms in block 114
Block first atom: 12099
Blocpdb> 113 atoms in block 115
Block first atom: 12204
Blocpdb> 109 atoms in block 116
Block first atom: 12317
Blocpdb> 106 atoms in block 117
Block first atom: 12426
Blocpdb> 110 atoms in block 118
Block first atom: 12532
Blocpdb> 104 atoms in block 119
Block first atom: 12642
Blocpdb> 114 atoms in block 120
Block first atom: 12746
Blocpdb> 107 atoms in block 121
Block first atom: 12860
Blocpdb> 103 atoms in block 122
Block first atom: 12967
Blocpdb> 102 atoms in block 123
Block first atom: 13070
Blocpdb> 108 atoms in block 124
Block first atom: 13172
Blocpdb> 110 atoms in block 125
Block first atom: 13280
Blocpdb> 93 atoms in block 126
Block first atom: 13390
Blocpdb> 114 atoms in block 127
Block first atom: 13483
Blocpdb> 104 atoms in block 128
Block first atom: 13597
Blocpdb> 95 atoms in block 129
Block first atom: 13701
Blocpdb> 99 atoms in block 130
Block first atom: 13796
Blocpdb> 97 atoms in block 131
Block first atom: 13895
Blocpdb> 110 atoms in block 132
Block first atom: 13992
Blocpdb> 101 atoms in block 133
Block first atom: 14102
Blocpdb> 113 atoms in block 134
Block first atom: 14203
Blocpdb> 97 atoms in block 135
Block first atom: 14316
Blocpdb> 99 atoms in block 136
Block first atom: 14413
Blocpdb> 107 atoms in block 137
Block first atom: 14512
Blocpdb> 95 atoms in block 138
Block first atom: 14619
Blocpdb> 104 atoms in block 139
Block first atom: 14714
Blocpdb> 103 atoms in block 140
Block first atom: 14818
Blocpdb> 111 atoms in block 141
Block first atom: 14921
Blocpdb> 107 atoms in block 142
Block first atom: 15032
Blocpdb> 98 atoms in block 143
Block first atom: 15139
Blocpdb> 107 atoms in block 144
Block first atom: 15237
Blocpdb> 96 atoms in block 145
Block first atom: 15344
Blocpdb> 105 atoms in block 146
Block first atom: 15440
Blocpdb> 120 atoms in block 147
Block first atom: 15545
Blocpdb> 124 atoms in block 148
Block first atom: 15665
Blocpdb> 111 atoms in block 149
Block first atom: 15789
Blocpdb> 103 atoms in block 150
Block first atom: 15900
Blocpdb> 110 atoms in block 151
Block first atom: 16003
Blocpdb> 104 atoms in block 152
Block first atom: 16113
Blocpdb> 92 atoms in block 153
Block first atom: 16217
Blocpdb> 105 atoms in block 154
Block first atom: 16309
Blocpdb> 119 atoms in block 155
Block first atom: 16414
Blocpdb> 117 atoms in block 156
Block first atom: 16533
Blocpdb> 121 atoms in block 157
Block first atom: 16650
Blocpdb> 107 atoms in block 158
Block first atom: 16771
Blocpdb> 117 atoms in block 159
Block first atom: 16878
Blocpdb> 121 atoms in block 160
Block first atom: 16995
Blocpdb> 107 atoms in block 161
Block first atom: 17116
Blocpdb> 121 atoms in block 162
Block first atom: 17223
Blocpdb> 115 atoms in block 163
Block first atom: 17344
Blocpdb> 97 atoms in block 164
Block first atom: 17459
Blocpdb> 91 atoms in block 165
Block first atom: 17556
Blocpdb> 128 atoms in block 166
Block first atom: 17647
Blocpdb> 107 atoms in block 167
Block first atom: 17775
Blocpdb> 119 atoms in block 168
Block first atom: 17882
Blocpdb> 108 atoms in block 169
Block first atom: 18001
Blocpdb> 113 atoms in block 170
Block first atom: 18109
Blocpdb> 110 atoms in block 171
Block first atom: 18222
Blocpdb> 125 atoms in block 172
Block first atom: 18332
Blocpdb> 117 atoms in block 173
Block first atom: 18457
Blocpdb> 113 atoms in block 174
Block first atom: 18574
Blocpdb> 107 atoms in block 175
Block first atom: 18687
Blocpdb> 128 atoms in block 176
Block first atom: 18794
Blocpdb> 110 atoms in block 177
Block first atom: 18922
Blocpdb> 113 atoms in block 178
Block first atom: 19032
Blocpdb> 119 atoms in block 179
Block first atom: 19145
Blocpdb> 107 atoms in block 180
Block first atom: 19264
Blocpdb> 122 atoms in block 181
Block first atom: 19371
Blocpdb> 119 atoms in block 182
Block first atom: 19493
Blocpdb> 100 atoms in block 183
Block first atom: 19612
Blocpdb> 112 atoms in block 184
Block first atom: 19712
Blocpdb> 102 atoms in block 185
Block first atom: 19824
Blocpdb> 114 atoms in block 186
Block first atom: 19926
Blocpdb> 108 atoms in block 187
Block first atom: 20040
Blocpdb> 97 atoms in block 188
Block first atom: 20148
Blocpdb> 97 atoms in block 189
Block first atom: 20245
Blocpdb> 79 atoms in block 190
Block first atom: 20342
Blocpdb> 91 atoms in block 191
Block first atom: 20421
Blocpdb> 94 atoms in block 192
Block first atom: 20512
Blocpdb> 98 atoms in block 193
Block first atom: 20606
Blocpdb> 98 atoms in block 194
Block first atom: 20704
Blocpdb> 111 atoms in block 195
Block first atom: 20802
Blocpdb> 97 atoms in block 196
Block first atom: 20913
Blocpdb> 108 atoms in block 197
Block first atom: 21010
Blocpdb> 112 atoms in block 198
Block first atom: 21118
Blocpdb> 104 atoms in block 199
Block first atom: 21230
Blocpdb> 101 atoms in block 200
Block first atom: 21334
Blocpdb> 115 atoms in block 201
Block first atom: 21435
Blocpdb> 109 atoms in block 202
Block first atom: 21550
Blocpdb> 105 atoms in block 203
Block first atom: 21659
Blocpdb> 114 atoms in block 204
Block first atom: 21764
Blocpdb> 106 atoms in block 205
Block first atom: 21878
Blocpdb> 110 atoms in block 206
Block first atom: 21984
Blocpdb> 104 atoms in block 207
Block first atom: 22094
Blocpdb> 111 atoms in block 208
Block first atom: 22198
Blocpdb> 105 atoms in block 209
Block first atom: 22309
Blocpdb> 113 atoms in block 210
Block first atom: 22414
Blocpdb> 109 atoms in block 211
Block first atom: 22527
Blocpdb> 106 atoms in block 212
Block first atom: 22636
Blocpdb> 110 atoms in block 213
Block first atom: 22742
Blocpdb> 104 atoms in block 214
Block first atom: 22852
Blocpdb> 114 atoms in block 215
Block first atom: 22956
Blocpdb> 107 atoms in block 216
Block first atom: 23070
Blocpdb> 103 atoms in block 217
Block first atom: 23177
Blocpdb> 102 atoms in block 218
Block first atom: 23280
Blocpdb> 108 atoms in block 219
Block first atom: 23382
Blocpdb> 110 atoms in block 220
Block first atom: 23490
Blocpdb> 93 atoms in block 221
Block first atom: 23600
Blocpdb> 114 atoms in block 222
Block first atom: 23693
Blocpdb> 104 atoms in block 223
Block first atom: 23807
Blocpdb> 95 atoms in block 224
Block first atom: 23911
Blocpdb> 99 atoms in block 225
Block first atom: 24006
Blocpdb> 97 atoms in block 226
Block first atom: 24105
Blocpdb> 110 atoms in block 227
Block first atom: 24202
Blocpdb> 101 atoms in block 228
Block first atom: 24312
Blocpdb> 113 atoms in block 229
Block first atom: 24413
Blocpdb> 97 atoms in block 230
Block first atom: 24526
Blocpdb> 99 atoms in block 231
Block first atom: 24623
Blocpdb> 107 atoms in block 232
Block first atom: 24722
Blocpdb> 95 atoms in block 233
Block first atom: 24829
Blocpdb> 104 atoms in block 234
Block first atom: 24924
Blocpdb> 103 atoms in block 235
Block first atom: 25028
Blocpdb> 111 atoms in block 236
Block first atom: 25131
Blocpdb> 107 atoms in block 237
Block first atom: 25242
Blocpdb> 98 atoms in block 238
Block first atom: 25349
Blocpdb> 107 atoms in block 239
Block first atom: 25447
Blocpdb> 96 atoms in block 240
Block first atom: 25554
Blocpdb> 105 atoms in block 241
Block first atom: 25650
Blocpdb> 120 atoms in block 242
Block first atom: 25755
Blocpdb> 124 atoms in block 243
Block first atom: 25875
Blocpdb> 111 atoms in block 244
Block first atom: 25999
Blocpdb> 103 atoms in block 245
Block first atom: 26110
Blocpdb> 110 atoms in block 246
Block first atom: 26213
Blocpdb> 104 atoms in block 247
Block first atom: 26323
Blocpdb> 92 atoms in block 248
Block first atom: 26427
Blocpdb> 105 atoms in block 249
Block first atom: 26519
Blocpdb> 119 atoms in block 250
Block first atom: 26624
Blocpdb> 117 atoms in block 251
Block first atom: 26743
Blocpdb> 121 atoms in block 252
Block first atom: 26860
Blocpdb> 107 atoms in block 253
Block first atom: 26981
Blocpdb> 117 atoms in block 254
Block first atom: 27088
Blocpdb> 121 atoms in block 255
Block first atom: 27205
Blocpdb> 107 atoms in block 256
Block first atom: 27326
Blocpdb> 121 atoms in block 257
Block first atom: 27433
Blocpdb> 115 atoms in block 258
Block first atom: 27554
Blocpdb> 97 atoms in block 259
Block first atom: 27669
Blocpdb> 91 atoms in block 260
Block first atom: 27766
Blocpdb> 128 atoms in block 261
Block first atom: 27857
Blocpdb> 107 atoms in block 262
Block first atom: 27985
Blocpdb> 119 atoms in block 263
Block first atom: 28092
Blocpdb> 108 atoms in block 264
Block first atom: 28211
Blocpdb> 113 atoms in block 265
Block first atom: 28319
Blocpdb> 110 atoms in block 266
Block first atom: 28432
Blocpdb> 125 atoms in block 267
Block first atom: 28542
Blocpdb> 117 atoms in block 268
Block first atom: 28667
Blocpdb> 113 atoms in block 269
Block first atom: 28784
Blocpdb> 107 atoms in block 270
Block first atom: 28897
Blocpdb> 128 atoms in block 271
Block first atom: 29004
Blocpdb> 110 atoms in block 272
Block first atom: 29132
Blocpdb> 113 atoms in block 273
Block first atom: 29242
Blocpdb> 119 atoms in block 274
Block first atom: 29355
Blocpdb> 107 atoms in block 275
Block first atom: 29474
Blocpdb> 122 atoms in block 276
Block first atom: 29581
Blocpdb> 119 atoms in block 277
Block first atom: 29703
Blocpdb> 100 atoms in block 278
Block first atom: 29822
Blocpdb> 112 atoms in block 279
Block first atom: 29922
Blocpdb> 102 atoms in block 280
Block first atom: 30034
Blocpdb> 114 atoms in block 281
Block first atom: 30136
Blocpdb> 108 atoms in block 282
Block first atom: 30250
Blocpdb> 97 atoms in block 283
Block first atom: 30358
Blocpdb> 97 atoms in block 284
Block first atom: 30455
Blocpdb> 79 atoms in block 285
Block first atom: 30552
Blocpdb> 91 atoms in block 286
Block first atom: 30631
Blocpdb> 94 atoms in block 287
Block first atom: 30722
Blocpdb> 98 atoms in block 288
Block first atom: 30816
Blocpdb> 98 atoms in block 289
Block first atom: 30914
Blocpdb> 111 atoms in block 290
Block first atom: 31012
Blocpdb> 97 atoms in block 291
Block first atom: 31123
Blocpdb> 108 atoms in block 292
Block first atom: 31220
Blocpdb> 112 atoms in block 293
Block first atom: 31328
Blocpdb> 104 atoms in block 294
Block first atom: 31440
Blocpdb> 101 atoms in block 295
Block first atom: 31544
Blocpdb> 115 atoms in block 296
Block first atom: 31645
Blocpdb> 109 atoms in block 297
Block first atom: 31760
Blocpdb> 105 atoms in block 298
Block first atom: 31869
Blocpdb> 114 atoms in block 299
Block first atom: 31974
Blocpdb> 106 atoms in block 300
Block first atom: 32088
Blocpdb> 110 atoms in block 301
Block first atom: 32194
Blocpdb> 104 atoms in block 302
Block first atom: 32304
Blocpdb> 111 atoms in block 303
Block first atom: 32408
Blocpdb> 105 atoms in block 304
Block first atom: 32519
Blocpdb> 113 atoms in block 305
Block first atom: 32624
Blocpdb> 109 atoms in block 306
Block first atom: 32737
Blocpdb> 106 atoms in block 307
Block first atom: 32846
Blocpdb> 110 atoms in block 308
Block first atom: 32952
Blocpdb> 104 atoms in block 309
Block first atom: 33062
Blocpdb> 114 atoms in block 310
Block first atom: 33166
Blocpdb> 107 atoms in block 311
Block first atom: 33280
Blocpdb> 103 atoms in block 312
Block first atom: 33387
Blocpdb> 102 atoms in block 313
Block first atom: 33490
Blocpdb> 108 atoms in block 314
Block first atom: 33592
Blocpdb> 110 atoms in block 315
Block first atom: 33700
Blocpdb> 93 atoms in block 316
Block first atom: 33810
Blocpdb> 114 atoms in block 317
Block first atom: 33903
Blocpdb> 104 atoms in block 318
Block first atom: 34017
Blocpdb> 95 atoms in block 319
Block first atom: 34121
Blocpdb> 99 atoms in block 320
Block first atom: 34216
Blocpdb> 97 atoms in block 321
Block first atom: 34315
Blocpdb> 110 atoms in block 322
Block first atom: 34412
Blocpdb> 101 atoms in block 323
Block first atom: 34522
Blocpdb> 113 atoms in block 324
Block first atom: 34623
Blocpdb> 97 atoms in block 325
Block first atom: 34736
Blocpdb> 99 atoms in block 326
Block first atom: 34833
Blocpdb> 107 atoms in block 327
Block first atom: 34932
Blocpdb> 95 atoms in block 328
Block first atom: 35039
Blocpdb> 104 atoms in block 329
Block first atom: 35134
Blocpdb> 103 atoms in block 330
Block first atom: 35238
Blocpdb> 111 atoms in block 331
Block first atom: 35341
Blocpdb> 107 atoms in block 332
Block first atom: 35452
Blocpdb> 98 atoms in block 333
Block first atom: 35559
Blocpdb> 107 atoms in block 334
Block first atom: 35657
Blocpdb> 96 atoms in block 335
Block first atom: 35764
Blocpdb> 105 atoms in block 336
Block first atom: 35860
Blocpdb> 120 atoms in block 337
Block first atom: 35965
Blocpdb> 124 atoms in block 338
Block first atom: 36085
Blocpdb> 111 atoms in block 339
Block first atom: 36209
Blocpdb> 103 atoms in block 340
Block first atom: 36320
Blocpdb> 110 atoms in block 341
Block first atom: 36423
Blocpdb> 104 atoms in block 342
Block first atom: 36533
Blocpdb> 92 atoms in block 343
Block first atom: 36637
Blocpdb> 105 atoms in block 344
Block first atom: 36729
Blocpdb> 119 atoms in block 345
Block first atom: 36834
Blocpdb> 117 atoms in block 346
Block first atom: 36953
Blocpdb> 121 atoms in block 347
Block first atom: 37070
Blocpdb> 107 atoms in block 348
Block first atom: 37191
Blocpdb> 117 atoms in block 349
Block first atom: 37298
Blocpdb> 121 atoms in block 350
Block first atom: 37415
Blocpdb> 107 atoms in block 351
Block first atom: 37536
Blocpdb> 121 atoms in block 352
Block first atom: 37643
Blocpdb> 115 atoms in block 353
Block first atom: 37764
Blocpdb> 97 atoms in block 354
Block first atom: 37879
Blocpdb> 91 atoms in block 355
Block first atom: 37976
Blocpdb> 128 atoms in block 356
Block first atom: 38067
Blocpdb> 107 atoms in block 357
Block first atom: 38195
Blocpdb> 119 atoms in block 358
Block first atom: 38302
Blocpdb> 108 atoms in block 359
Block first atom: 38421
Blocpdb> 113 atoms in block 360
Block first atom: 38529
Blocpdb> 110 atoms in block 361
Block first atom: 38642
Blocpdb> 125 atoms in block 362
Block first atom: 38752
Blocpdb> 117 atoms in block 363
Block first atom: 38877
Blocpdb> 113 atoms in block 364
Block first atom: 38994
Blocpdb> 107 atoms in block 365
Block first atom: 39107
Blocpdb> 128 atoms in block 366
Block first atom: 39214
Blocpdb> 110 atoms in block 367
Block first atom: 39342
Blocpdb> 113 atoms in block 368
Block first atom: 39452
Blocpdb> 119 atoms in block 369
Block first atom: 39565
Blocpdb> 107 atoms in block 370
Block first atom: 39684
Blocpdb> 122 atoms in block 371
Block first atom: 39791
Blocpdb> 119 atoms in block 372
Block first atom: 39913
Blocpdb> 100 atoms in block 373
Block first atom: 40032
Blocpdb> 112 atoms in block 374
Block first atom: 40132
Blocpdb> 102 atoms in block 375
Block first atom: 40244
Blocpdb> 114 atoms in block 376
Block first atom: 40346
Blocpdb> 108 atoms in block 377
Block first atom: 40460
Blocpdb> 97 atoms in block 378
Block first atom: 40568
Blocpdb> 97 atoms in block 379
Block first atom: 40665
Blocpdb> 79 atoms in block 380
Block first atom: 40761
Blocpdb> 380 blocks.
Blocpdb> At most, 128 atoms in each of them.
Blocpdb> At least, 79 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: 47195137 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 0m0.202s
user 0m0.188s
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.
|
