*** 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 = 2607020602011894524.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 2607020602011894524.atom to be opened.
Openam> File opened: 2607020602011894524.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 = 2607020602011894524.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 8
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 2607020602011894524.atom to be opened.
Openam> file on opening on unit 11:
2607020602011894524.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> 8 residue(s) per block.
Blocpdb> 5308 residues.
Blocpdb> 60 atoms in block 1
Block first atom: 1
Blocpdb> 42 atoms in block 2
Block first atom: 61
Blocpdb> 58 atoms in block 3
Block first atom: 103
Blocpdb> 53 atoms in block 4
Block first atom: 161
Blocpdb> 59 atoms in block 5
Block first atom: 214
Blocpdb> 54 atoms in block 6
Block first atom: 273
Blocpdb> 55 atoms in block 7
Block first atom: 327
Blocpdb> 69 atoms in block 8
Block first atom: 382
Blocpdb> 53 atoms in block 9
Block first atom: 451
Blocpdb> 54 atoms in block 10
Block first atom: 504
Blocpdb> 57 atoms in block 11
Block first atom: 558
Blocpdb> 69 atoms in block 12
Block first atom: 615
Blocpdb> 66 atoms in block 13
Block first atom: 684
Blocpdb> 60 atoms in block 14
Block first atom: 750
Blocpdb> 54 atoms in block 15
Block first atom: 810
Blocpdb> 64 atoms in block 16
Block first atom: 864
Blocpdb> 60 atoms in block 17
Block first atom: 928
Blocpdb> 58 atoms in block 18
Block first atom: 988
Blocpdb> 68 atoms in block 19
Block first atom: 1046
Blocpdb> 63 atoms in block 20
Block first atom: 1114
Blocpdb> 62 atoms in block 21
Block first atom: 1177
Blocpdb> 53 atoms in block 22
Block first atom: 1239
Blocpdb> 67 atoms in block 23
Block first atom: 1292
Blocpdb> 67 atoms in block 24
Block first atom: 1359
Blocpdb> 66 atoms in block 25
Block first atom: 1426
Blocpdb> 57 atoms in block 26
Block first atom: 1492
Blocpdb> 60 atoms in block 27
Block first atom: 1549
Blocpdb> 65 atoms in block 28
Block first atom: 1609
Blocpdb> 55 atoms in block 29
Block first atom: 1674
Blocpdb> 65 atoms in block 30
Block first atom: 1729
Blocpdb> 61 atoms in block 31
Block first atom: 1794
Blocpdb> 65 atoms in block 32
Block first atom: 1855
Blocpdb> 59 atoms in block 33
Block first atom: 1920
Blocpdb> 65 atoms in block 34
Block first atom: 1979
Blocpdb> 63 atoms in block 35
Block first atom: 2044
Blocpdb> 61 atoms in block 36
Block first atom: 2107
Blocpdb> 58 atoms in block 37
Block first atom: 2168
Blocpdb> 67 atoms in block 38
Block first atom: 2226
Blocpdb> 58 atoms in block 39
Block first atom: 2293
Blocpdb> 66 atoms in block 40
Block first atom: 2351
Blocpdb> 58 atoms in block 41
Block first atom: 2417
Blocpdb> 61 atoms in block 42
Block first atom: 2475
Blocpdb> 70 atoms in block 43
Block first atom: 2536
Blocpdb> 59 atoms in block 44
Block first atom: 2606
Blocpdb> 69 atoms in block 45
Block first atom: 2665
Blocpdb> 50 atoms in block 46
Block first atom: 2734
Blocpdb> 64 atoms in block 47
Block first atom: 2784
Blocpdb> 53 atoms in block 48
Block first atom: 2848
Blocpdb> 61 atoms in block 49
Block first atom: 2901
Blocpdb> 64 atoms in block 50
Block first atom: 2962
Blocpdb> 63 atoms in block 51
Block first atom: 3026
Blocpdb> 64 atoms in block 52
Block first atom: 3089
Blocpdb> 54 atoms in block 53
Block first atom: 3153
Blocpdb> 56 atoms in block 54
Block first atom: 3207
Blocpdb> 59 atoms in block 55
Block first atom: 3263
Blocpdb> 65 atoms in block 56
Block first atom: 3322
Blocpdb> 62 atoms in block 57
Block first atom: 3387
Blocpdb> 59 atoms in block 58
Block first atom: 3449
Blocpdb> 50 atoms in block 59
Block first atom: 3508
Blocpdb> 59 atoms in block 60
Block first atom: 3558
Blocpdb> 54 atoms in block 61
Block first atom: 3617
Blocpdb> 58 atoms in block 62
Block first atom: 3671
Blocpdb> 53 atoms in block 63
Block first atom: 3729
Blocpdb> 62 atoms in block 64
Block first atom: 3782
Blocpdb> 62 atoms in block 65
Block first atom: 3844
Blocpdb> 60 atoms in block 66
Block first atom: 3906
Blocpdb> 64 atoms in block 67
Block first atom: 3966
Blocpdb> 63 atoms in block 68
Block first atom: 4030
Blocpdb> 55 atoms in block 69
Block first atom: 4093
Blocpdb> 55 atoms in block 70
Block first atom: 4148
Blocpdb> 59 atoms in block 71
Block first atom: 4203
Blocpdb> 58 atoms in block 72
Block first atom: 4262
Blocpdb> 56 atoms in block 73
Block first atom: 4320
Blocpdb> 63 atoms in block 74
Block first atom: 4376
Blocpdb> 50 atoms in block 75
Block first atom: 4439
Blocpdb> 63 atoms in block 76
Block first atom: 4489
Blocpdb> 56 atoms in block 77
Block first atom: 4552
Blocpdb> 58 atoms in block 78
Block first atom: 4608
Blocpdb> 61 atoms in block 79
Block first atom: 4666
Blocpdb> 66 atoms in block 80
Block first atom: 4727
Blocpdb> 55 atoms in block 81
Block first atom: 4793
Blocpdb> 65 atoms in block 82
Block first atom: 4848
Blocpdb> 55 atoms in block 83
Block first atom: 4913
Blocpdb> 59 atoms in block 84
Block first atom: 4968
Blocpdb> 62 atoms in block 85
Block first atom: 5027
Blocpdb> 59 atoms in block 86
Block first atom: 5089
Blocpdb> 54 atoms in block 87
Block first atom: 5148
Blocpdb> 64 atoms in block 88
Block first atom: 5202
Blocpdb> 58 atoms in block 89
Block first atom: 5266
Blocpdb> 58 atoms in block 90
Block first atom: 5324
Blocpdb> 73 atoms in block 91
Block first atom: 5382
Blocpdb> 66 atoms in block 92
Block first atom: 5455
Blocpdb> 74 atoms in block 93
Block first atom: 5521
Blocpdb> 63 atoms in block 94
Block first atom: 5595
Blocpdb> 68 atoms in block 95
Block first atom: 5658
Blocpdb> 55 atoms in block 96
Block first atom: 5726
Blocpdb> 56 atoms in block 97
Block first atom: 5781
Blocpdb> 66 atoms in block 98
Block first atom: 5837
Blocpdb> 66 atoms in block 99
Block first atom: 5903
Blocpdb> 52 atoms in block 100
Block first atom: 5969
Blocpdb> 58 atoms in block 101
Block first atom: 6021
Blocpdb> 43 atoms in block 102
Block first atom: 6079
Blocpdb> 63 atoms in block 103
Block first atom: 6122
Blocpdb> 69 atoms in block 104
Block first atom: 6185
Blocpdb> 69 atoms in block 105
Block first atom: 6254
Blocpdb> 60 atoms in block 106
Block first atom: 6323
Blocpdb> 81 atoms in block 107
Block first atom: 6383
Blocpdb> 64 atoms in block 108
Block first atom: 6464
Blocpdb> 61 atoms in block 109
Block first atom: 6528
Blocpdb> 67 atoms in block 110
Block first atom: 6589
Blocpdb> 60 atoms in block 111
Block first atom: 6656
Blocpdb> 69 atoms in block 112
Block first atom: 6716
Blocpdb> 69 atoms in block 113
Block first atom: 6785
Blocpdb> 70 atoms in block 114
Block first atom: 6854
Blocpdb> 55 atoms in block 115
Block first atom: 6924
Blocpdb> 67 atoms in block 116
Block first atom: 6979
Blocpdb> 76 atoms in block 117
Block first atom: 7046
Blocpdb> 60 atoms in block 118
Block first atom: 7122
Blocpdb> 67 atoms in block 119
Block first atom: 7182
Blocpdb> 52 atoms in block 120
Block first atom: 7249
Blocpdb> 61 atoms in block 121
Block first atom: 7301
Blocpdb> 47 atoms in block 122
Block first atom: 7362
Blocpdb> 65 atoms in block 123
Block first atom: 7409
Blocpdb> 72 atoms in block 124
Block first atom: 7474
Blocpdb> 70 atoms in block 125
Block first atom: 7546
Blocpdb> 56 atoms in block 126
Block first atom: 7616
Blocpdb> 65 atoms in block 127
Block first atom: 7672
Blocpdb> 75 atoms in block 128
Block first atom: 7737
Blocpdb> 57 atoms in block 129
Block first atom: 7812
Blocpdb> 65 atoms in block 130
Block first atom: 7869
Blocpdb> 61 atoms in block 131
Block first atom: 7934
Blocpdb> 63 atoms in block 132
Block first atom: 7995
Blocpdb> 64 atoms in block 133
Block first atom: 8058
Blocpdb> 69 atoms in block 134
Block first atom: 8122
Blocpdb> 72 atoms in block 135
Block first atom: 8191
Blocpdb> 68 atoms in block 136
Block first atom: 8263
Blocpdb> 69 atoms in block 137
Block first atom: 8331
Blocpdb> 61 atoms in block 138
Block first atom: 8400
Blocpdb> 65 atoms in block 139
Block first atom: 8461
Blocpdb> 58 atoms in block 140
Block first atom: 8526
Blocpdb> 78 atoms in block 141
Block first atom: 8584
Blocpdb> 70 atoms in block 142
Block first atom: 8662
Blocpdb> 58 atoms in block 143
Block first atom: 8732
Blocpdb> 61 atoms in block 144
Block first atom: 8790
Blocpdb> 70 atoms in block 145
Block first atom: 8851
Blocpdb> 68 atoms in block 146
Block first atom: 8921
Blocpdb> 65 atoms in block 147
Block first atom: 8989
Blocpdb> 63 atoms in block 148
Block first atom: 9054
Blocpdb> 58 atoms in block 149
Block first atom: 9117
Blocpdb> 78 atoms in block 150
Block first atom: 9175
Blocpdb> 67 atoms in block 151
Block first atom: 9253
Blocpdb> 66 atoms in block 152
Block first atom: 9320
Blocpdb> 59 atoms in block 153
Block first atom: 9386
Blocpdb> 57 atoms in block 154
Block first atom: 9445
Blocpdb> 71 atoms in block 155
Block first atom: 9502
Blocpdb> 58 atoms in block 156
Block first atom: 9573
Blocpdb> 53 atoms in block 157
Block first atom: 9631
Blocpdb> 62 atoms in block 158
Block first atom: 9684
Blocpdb> 70 atoms in block 159
Block first atom: 9746
Blocpdb> 68 atoms in block 160
Block first atom: 9816
Blocpdb> 54 atoms in block 161
Block first atom: 9884
Blocpdb> 54 atoms in block 162
Block first atom: 9938
Blocpdb> 53 atoms in block 163
Block first atom: 9992
Blocpdb> 54 atoms in block 164
Block first atom: 10045
Blocpdb> 60 atoms in block 165
Block first atom: 10099
Blocpdb> 52 atoms in block 166
Block first atom: 10159
Blocpdb> 60 atoms in block 167
Block first atom: 10211
Blocpdb> 42 atoms in block 168
Block first atom: 10271
Blocpdb> 58 atoms in block 169
Block first atom: 10313
Blocpdb> 53 atoms in block 170
Block first atom: 10371
Blocpdb> 59 atoms in block 171
Block first atom: 10424
Blocpdb> 54 atoms in block 172
Block first atom: 10483
Blocpdb> 55 atoms in block 173
Block first atom: 10537
Blocpdb> 69 atoms in block 174
Block first atom: 10592
Blocpdb> 53 atoms in block 175
Block first atom: 10661
Blocpdb> 54 atoms in block 176
Block first atom: 10714
Blocpdb> 57 atoms in block 177
Block first atom: 10768
Blocpdb> 69 atoms in block 178
Block first atom: 10825
Blocpdb> 66 atoms in block 179
Block first atom: 10894
Blocpdb> 60 atoms in block 180
Block first atom: 10960
Blocpdb> 54 atoms in block 181
Block first atom: 11020
Blocpdb> 64 atoms in block 182
Block first atom: 11074
Blocpdb> 60 atoms in block 183
Block first atom: 11138
Blocpdb> 58 atoms in block 184
Block first atom: 11198
Blocpdb> 68 atoms in block 185
Block first atom: 11256
Blocpdb> 63 atoms in block 186
Block first atom: 11324
Blocpdb> 62 atoms in block 187
Block first atom: 11387
Blocpdb> 53 atoms in block 188
Block first atom: 11449
Blocpdb> 67 atoms in block 189
Block first atom: 11502
Blocpdb> 67 atoms in block 190
Block first atom: 11569
Blocpdb> 66 atoms in block 191
Block first atom: 11636
Blocpdb> 57 atoms in block 192
Block first atom: 11702
Blocpdb> 60 atoms in block 193
Block first atom: 11759
Blocpdb> 65 atoms in block 194
Block first atom: 11819
Blocpdb> 55 atoms in block 195
Block first atom: 11884
Blocpdb> 65 atoms in block 196
Block first atom: 11939
Blocpdb> 61 atoms in block 197
Block first atom: 12004
Blocpdb> 65 atoms in block 198
Block first atom: 12065
Blocpdb> 59 atoms in block 199
Block first atom: 12130
Blocpdb> 65 atoms in block 200
Block first atom: 12189
Blocpdb> 63 atoms in block 201
Block first atom: 12254
Blocpdb> 61 atoms in block 202
Block first atom: 12317
Blocpdb> 58 atoms in block 203
Block first atom: 12378
Blocpdb> 67 atoms in block 204
Block first atom: 12436
Blocpdb> 58 atoms in block 205
Block first atom: 12503
Blocpdb> 66 atoms in block 206
Block first atom: 12561
Blocpdb> 58 atoms in block 207
Block first atom: 12627
Blocpdb> 61 atoms in block 208
Block first atom: 12685
Blocpdb> 70 atoms in block 209
Block first atom: 12746
Blocpdb> 59 atoms in block 210
Block first atom: 12816
Blocpdb> 69 atoms in block 211
Block first atom: 12875
Blocpdb> 50 atoms in block 212
Block first atom: 12944
Blocpdb> 64 atoms in block 213
Block first atom: 12994
Blocpdb> 53 atoms in block 214
Block first atom: 13058
Blocpdb> 61 atoms in block 215
Block first atom: 13111
Blocpdb> 64 atoms in block 216
Block first atom: 13172
Blocpdb> 63 atoms in block 217
Block first atom: 13236
Blocpdb> 64 atoms in block 218
Block first atom: 13299
Blocpdb> 54 atoms in block 219
Block first atom: 13363
Blocpdb> 56 atoms in block 220
Block first atom: 13417
Blocpdb> 59 atoms in block 221
Block first atom: 13473
Blocpdb> 65 atoms in block 222
Block first atom: 13532
Blocpdb> 62 atoms in block 223
Block first atom: 13597
Blocpdb> 59 atoms in block 224
Block first atom: 13659
Blocpdb> 50 atoms in block 225
Block first atom: 13718
Blocpdb> 59 atoms in block 226
Block first atom: 13768
Blocpdb> 54 atoms in block 227
Block first atom: 13827
Blocpdb> 58 atoms in block 228
Block first atom: 13881
Blocpdb> 53 atoms in block 229
Block first atom: 13939
Blocpdb> 62 atoms in block 230
Block first atom: 13992
Blocpdb> 62 atoms in block 231
Block first atom: 14054
Blocpdb> 60 atoms in block 232
Block first atom: 14116
Blocpdb> 64 atoms in block 233
Block first atom: 14176
Blocpdb> 63 atoms in block 234
Block first atom: 14240
Blocpdb> 55 atoms in block 235
Block first atom: 14303
Blocpdb> 55 atoms in block 236
Block first atom: 14358
Blocpdb> 59 atoms in block 237
Block first atom: 14413
Blocpdb> 58 atoms in block 238
Block first atom: 14472
Blocpdb> 56 atoms in block 239
Block first atom: 14530
Blocpdb> 63 atoms in block 240
Block first atom: 14586
Blocpdb> 50 atoms in block 241
Block first atom: 14649
Blocpdb> 63 atoms in block 242
Block first atom: 14699
Blocpdb> 56 atoms in block 243
Block first atom: 14762
Blocpdb> 58 atoms in block 244
Block first atom: 14818
Blocpdb> 61 atoms in block 245
Block first atom: 14876
Blocpdb> 66 atoms in block 246
Block first atom: 14937
Blocpdb> 55 atoms in block 247
Block first atom: 15003
Blocpdb> 65 atoms in block 248
Block first atom: 15058
Blocpdb> 55 atoms in block 249
Block first atom: 15123
Blocpdb> 59 atoms in block 250
Block first atom: 15178
Blocpdb> 62 atoms in block 251
Block first atom: 15237
Blocpdb> 59 atoms in block 252
Block first atom: 15299
Blocpdb> 54 atoms in block 253
Block first atom: 15358
Blocpdb> 64 atoms in block 254
Block first atom: 15412
Blocpdb> 58 atoms in block 255
Block first atom: 15476
Blocpdb> 58 atoms in block 256
Block first atom: 15534
Blocpdb> 73 atoms in block 257
Block first atom: 15592
Blocpdb> 66 atoms in block 258
Block first atom: 15665
Blocpdb> 74 atoms in block 259
Block first atom: 15731
Blocpdb> 63 atoms in block 260
Block first atom: 15805
Blocpdb> 68 atoms in block 261
Block first atom: 15868
Blocpdb> 55 atoms in block 262
Block first atom: 15936
Blocpdb> 56 atoms in block 263
Block first atom: 15991
Blocpdb> 66 atoms in block 264
Block first atom: 16047
Blocpdb> 66 atoms in block 265
Block first atom: 16113
Blocpdb> 52 atoms in block 266
Block first atom: 16179
Blocpdb> 58 atoms in block 267
Block first atom: 16231
Blocpdb> 43 atoms in block 268
Block first atom: 16289
Blocpdb> 63 atoms in block 269
Block first atom: 16332
Blocpdb> 69 atoms in block 270
Block first atom: 16395
Blocpdb> 69 atoms in block 271
Block first atom: 16464
Blocpdb> 60 atoms in block 272
Block first atom: 16533
Blocpdb> 81 atoms in block 273
Block first atom: 16593
Blocpdb> 64 atoms in block 274
Block first atom: 16674
Blocpdb> 61 atoms in block 275
Block first atom: 16738
Blocpdb> 67 atoms in block 276
Block first atom: 16799
Blocpdb> 60 atoms in block 277
Block first atom: 16866
Blocpdb> 69 atoms in block 278
Block first atom: 16926
Blocpdb> 69 atoms in block 279
Block first atom: 16995
Blocpdb> 70 atoms in block 280
Block first atom: 17064
Blocpdb> 55 atoms in block 281
Block first atom: 17134
Blocpdb> 67 atoms in block 282
Block first atom: 17189
Blocpdb> 76 atoms in block 283
Block first atom: 17256
Blocpdb> 60 atoms in block 284
Block first atom: 17332
Blocpdb> 67 atoms in block 285
Block first atom: 17392
Blocpdb> 52 atoms in block 286
Block first atom: 17459
Blocpdb> 61 atoms in block 287
Block first atom: 17511
Blocpdb> 47 atoms in block 288
Block first atom: 17572
Blocpdb> 65 atoms in block 289
Block first atom: 17619
Blocpdb> 72 atoms in block 290
Block first atom: 17684
Blocpdb> 70 atoms in block 291
Block first atom: 17756
Blocpdb> 56 atoms in block 292
Block first atom: 17826
Blocpdb> 65 atoms in block 293
Block first atom: 17882
Blocpdb> 75 atoms in block 294
Block first atom: 17947
Blocpdb> 57 atoms in block 295
Block first atom: 18022
Blocpdb> 65 atoms in block 296
Block first atom: 18079
Blocpdb> 61 atoms in block 297
Block first atom: 18144
Blocpdb> 63 atoms in block 298
Block first atom: 18205
Blocpdb> 64 atoms in block 299
Block first atom: 18268
Blocpdb> 69 atoms in block 300
Block first atom: 18332
Blocpdb> 72 atoms in block 301
Block first atom: 18401
Blocpdb> 68 atoms in block 302
Block first atom: 18473
Blocpdb> 69 atoms in block 303
Block first atom: 18541
Blocpdb> 61 atoms in block 304
Block first atom: 18610
Blocpdb> 65 atoms in block 305
Block first atom: 18671
Blocpdb> 58 atoms in block 306
Block first atom: 18736
Blocpdb> 78 atoms in block 307
Block first atom: 18794
Blocpdb> 70 atoms in block 308
Block first atom: 18872
Blocpdb> 58 atoms in block 309
Block first atom: 18942
Blocpdb> 61 atoms in block 310
Block first atom: 19000
Blocpdb> 70 atoms in block 311
Block first atom: 19061
Blocpdb> 68 atoms in block 312
Block first atom: 19131
Blocpdb> 65 atoms in block 313
Block first atom: 19199
Blocpdb> 63 atoms in block 314
Block first atom: 19264
Blocpdb> 58 atoms in block 315
Block first atom: 19327
Blocpdb> 78 atoms in block 316
Block first atom: 19385
Blocpdb> 67 atoms in block 317
Block first atom: 19463
Blocpdb> 66 atoms in block 318
Block first atom: 19530
Blocpdb> 59 atoms in block 319
Block first atom: 19596
Blocpdb> 57 atoms in block 320
Block first atom: 19655
Blocpdb> 71 atoms in block 321
Block first atom: 19712
Blocpdb> 58 atoms in block 322
Block first atom: 19783
Blocpdb> 53 atoms in block 323
Block first atom: 19841
Blocpdb> 62 atoms in block 324
Block first atom: 19894
Blocpdb> 70 atoms in block 325
Block first atom: 19956
Blocpdb> 68 atoms in block 326
Block first atom: 20026
Blocpdb> 54 atoms in block 327
Block first atom: 20094
Blocpdb> 54 atoms in block 328
Block first atom: 20148
Blocpdb> 53 atoms in block 329
Block first atom: 20202
Blocpdb> 54 atoms in block 330
Block first atom: 20255
Blocpdb> 60 atoms in block 331
Block first atom: 20309
Blocpdb> 52 atoms in block 332
Block first atom: 20369
Blocpdb> 60 atoms in block 333
Block first atom: 20421
Blocpdb> 42 atoms in block 334
Block first atom: 20481
Blocpdb> 58 atoms in block 335
Block first atom: 20523
Blocpdb> 53 atoms in block 336
Block first atom: 20581
Blocpdb> 59 atoms in block 337
Block first atom: 20634
Blocpdb> 54 atoms in block 338
Block first atom: 20693
Blocpdb> 55 atoms in block 339
Block first atom: 20747
Blocpdb> 69 atoms in block 340
Block first atom: 20802
Blocpdb> 53 atoms in block 341
Block first atom: 20871
Blocpdb> 54 atoms in block 342
Block first atom: 20924
Blocpdb> 57 atoms in block 343
Block first atom: 20978
Blocpdb> 69 atoms in block 344
Block first atom: 21035
Blocpdb> 66 atoms in block 345
Block first atom: 21104
Blocpdb> 60 atoms in block 346
Block first atom: 21170
Blocpdb> 54 atoms in block 347
Block first atom: 21230
Blocpdb> 64 atoms in block 348
Block first atom: 21284
Blocpdb> 60 atoms in block 349
Block first atom: 21348
Blocpdb> 58 atoms in block 350
Block first atom: 21408
Blocpdb> 68 atoms in block 351
Block first atom: 21466
Blocpdb> 63 atoms in block 352
Block first atom: 21534
Blocpdb> 62 atoms in block 353
Block first atom: 21597
Blocpdb> 53 atoms in block 354
Block first atom: 21659
Blocpdb> 67 atoms in block 355
Block first atom: 21712
Blocpdb> 67 atoms in block 356
Block first atom: 21779
Blocpdb> 66 atoms in block 357
Block first atom: 21846
Blocpdb> 57 atoms in block 358
Block first atom: 21912
Blocpdb> 60 atoms in block 359
Block first atom: 21969
Blocpdb> 65 atoms in block 360
Block first atom: 22029
Blocpdb> 55 atoms in block 361
Block first atom: 22094
Blocpdb> 65 atoms in block 362
Block first atom: 22149
Blocpdb> 61 atoms in block 363
Block first atom: 22214
Blocpdb> 65 atoms in block 364
Block first atom: 22275
Blocpdb> 59 atoms in block 365
Block first atom: 22340
Blocpdb> 65 atoms in block 366
Block first atom: 22399
Blocpdb> 63 atoms in block 367
Block first atom: 22464
Blocpdb> 61 atoms in block 368
Block first atom: 22527
Blocpdb> 58 atoms in block 369
Block first atom: 22588
Blocpdb> 67 atoms in block 370
Block first atom: 22646
Blocpdb> 58 atoms in block 371
Block first atom: 22713
Blocpdb> 66 atoms in block 372
Block first atom: 22771
Blocpdb> 58 atoms in block 373
Block first atom: 22837
Blocpdb> 61 atoms in block 374
Block first atom: 22895
Blocpdb> 70 atoms in block 375
Block first atom: 22956
Blocpdb> 59 atoms in block 376
Block first atom: 23026
Blocpdb> 69 atoms in block 377
Block first atom: 23085
Blocpdb> 50 atoms in block 378
Block first atom: 23154
Blocpdb> 64 atoms in block 379
Block first atom: 23204
Blocpdb> 53 atoms in block 380
Block first atom: 23268
Blocpdb> 61 atoms in block 381
Block first atom: 23321
Blocpdb> 64 atoms in block 382
Block first atom: 23382
Blocpdb> 63 atoms in block 383
Block first atom: 23446
Blocpdb> 64 atoms in block 384
Block first atom: 23509
Blocpdb> 54 atoms in block 385
Block first atom: 23573
Blocpdb> 56 atoms in block 386
Block first atom: 23627
Blocpdb> 59 atoms in block 387
Block first atom: 23683
Blocpdb> 65 atoms in block 388
Block first atom: 23742
Blocpdb> 62 atoms in block 389
Block first atom: 23807
Blocpdb> 59 atoms in block 390
Block first atom: 23869
Blocpdb> 50 atoms in block 391
Block first atom: 23928
Blocpdb> 59 atoms in block 392
Block first atom: 23978
Blocpdb> 54 atoms in block 393
Block first atom: 24037
Blocpdb> 58 atoms in block 394
Block first atom: 24091
Blocpdb> 53 atoms in block 395
Block first atom: 24149
Blocpdb> 62 atoms in block 396
Block first atom: 24202
Blocpdb> 62 atoms in block 397
Block first atom: 24264
Blocpdb> 60 atoms in block 398
Block first atom: 24326
Blocpdb> 64 atoms in block 399
Block first atom: 24386
Blocpdb> 63 atoms in block 400
Block first atom: 24450
Blocpdb> 55 atoms in block 401
Block first atom: 24513
Blocpdb> 55 atoms in block 402
Block first atom: 24568
Blocpdb> 59 atoms in block 403
Block first atom: 24623
Blocpdb> 58 atoms in block 404
Block first atom: 24682
Blocpdb> 56 atoms in block 405
Block first atom: 24740
Blocpdb> 63 atoms in block 406
Block first atom: 24796
Blocpdb> 50 atoms in block 407
Block first atom: 24859
Blocpdb> 63 atoms in block 408
Block first atom: 24909
Blocpdb> 56 atoms in block 409
Block first atom: 24972
Blocpdb> 58 atoms in block 410
Block first atom: 25028
Blocpdb> 61 atoms in block 411
Block first atom: 25086
Blocpdb> 66 atoms in block 412
Block first atom: 25147
Blocpdb> 55 atoms in block 413
Block first atom: 25213
Blocpdb> 65 atoms in block 414
Block first atom: 25268
Blocpdb> 55 atoms in block 415
Block first atom: 25333
Blocpdb> 59 atoms in block 416
Block first atom: 25388
Blocpdb> 62 atoms in block 417
Block first atom: 25447
Blocpdb> 59 atoms in block 418
Block first atom: 25509
Blocpdb> 54 atoms in block 419
Block first atom: 25568
Blocpdb> 64 atoms in block 420
Block first atom: 25622
Blocpdb> 58 atoms in block 421
Block first atom: 25686
Blocpdb> 58 atoms in block 422
Block first atom: 25744
Blocpdb> 73 atoms in block 423
Block first atom: 25802
Blocpdb> 66 atoms in block 424
Block first atom: 25875
Blocpdb> 74 atoms in block 425
Block first atom: 25941
Blocpdb> 63 atoms in block 426
Block first atom: 26015
Blocpdb> 68 atoms in block 427
Block first atom: 26078
Blocpdb> 55 atoms in block 428
Block first atom: 26146
Blocpdb> 56 atoms in block 429
Block first atom: 26201
Blocpdb> 66 atoms in block 430
Block first atom: 26257
Blocpdb> 66 atoms in block 431
Block first atom: 26323
Blocpdb> 52 atoms in block 432
Block first atom: 26389
Blocpdb> 58 atoms in block 433
Block first atom: 26441
Blocpdb> 43 atoms in block 434
Block first atom: 26499
Blocpdb> 63 atoms in block 435
Block first atom: 26542
Blocpdb> 69 atoms in block 436
Block first atom: 26605
Blocpdb> 69 atoms in block 437
Block first atom: 26674
Blocpdb> 60 atoms in block 438
Block first atom: 26743
Blocpdb> 81 atoms in block 439
Block first atom: 26803
Blocpdb> 64 atoms in block 440
Block first atom: 26884
Blocpdb> 61 atoms in block 441
Block first atom: 26948
Blocpdb> 67 atoms in block 442
Block first atom: 27009
Blocpdb> 60 atoms in block 443
Block first atom: 27076
Blocpdb> 69 atoms in block 444
Block first atom: 27136
Blocpdb> 69 atoms in block 445
Block first atom: 27205
Blocpdb> 70 atoms in block 446
Block first atom: 27274
Blocpdb> 55 atoms in block 447
Block first atom: 27344
Blocpdb> 67 atoms in block 448
Block first atom: 27399
Blocpdb> 76 atoms in block 449
Block first atom: 27466
Blocpdb> 60 atoms in block 450
Block first atom: 27542
Blocpdb> 67 atoms in block 451
Block first atom: 27602
Blocpdb> 52 atoms in block 452
Block first atom: 27669
Blocpdb> 61 atoms in block 453
Block first atom: 27721
Blocpdb> 47 atoms in block 454
Block first atom: 27782
Blocpdb> 65 atoms in block 455
Block first atom: 27829
Blocpdb> 72 atoms in block 456
Block first atom: 27894
Blocpdb> 70 atoms in block 457
Block first atom: 27966
Blocpdb> 56 atoms in block 458
Block first atom: 28036
Blocpdb> 65 atoms in block 459
Block first atom: 28092
Blocpdb> 75 atoms in block 460
Block first atom: 28157
Blocpdb> 57 atoms in block 461
Block first atom: 28232
Blocpdb> 65 atoms in block 462
Block first atom: 28289
Blocpdb> 61 atoms in block 463
Block first atom: 28354
Blocpdb> 63 atoms in block 464
Block first atom: 28415
Blocpdb> 64 atoms in block 465
Block first atom: 28478
Blocpdb> 69 atoms in block 466
Block first atom: 28542
Blocpdb> 72 atoms in block 467
Block first atom: 28611
Blocpdb> 68 atoms in block 468
Block first atom: 28683
Blocpdb> 69 atoms in block 469
Block first atom: 28751
Blocpdb> 61 atoms in block 470
Block first atom: 28820
Blocpdb> 65 atoms in block 471
Block first atom: 28881
Blocpdb> 58 atoms in block 472
Block first atom: 28946
Blocpdb> 78 atoms in block 473
Block first atom: 29004
Blocpdb> 70 atoms in block 474
Block first atom: 29082
Blocpdb> 58 atoms in block 475
Block first atom: 29152
Blocpdb> 61 atoms in block 476
Block first atom: 29210
Blocpdb> 70 atoms in block 477
Block first atom: 29271
Blocpdb> 68 atoms in block 478
Block first atom: 29341
Blocpdb> 65 atoms in block 479
Block first atom: 29409
Blocpdb> 63 atoms in block 480
Block first atom: 29474
Blocpdb> 58 atoms in block 481
Block first atom: 29537
Blocpdb> 78 atoms in block 482
Block first atom: 29595
Blocpdb> 67 atoms in block 483
Block first atom: 29673
Blocpdb> 66 atoms in block 484
Block first atom: 29740
Blocpdb> 59 atoms in block 485
Block first atom: 29806
Blocpdb> 57 atoms in block 486
Block first atom: 29865
Blocpdb> 71 atoms in block 487
Block first atom: 29922
Blocpdb> 58 atoms in block 488
Block first atom: 29993
Blocpdb> 53 atoms in block 489
Block first atom: 30051
Blocpdb> 62 atoms in block 490
Block first atom: 30104
Blocpdb> 70 atoms in block 491
Block first atom: 30166
Blocpdb> 68 atoms in block 492
Block first atom: 30236
Blocpdb> 54 atoms in block 493
Block first atom: 30304
Blocpdb> 54 atoms in block 494
Block first atom: 30358
Blocpdb> 53 atoms in block 495
Block first atom: 30412
Blocpdb> 54 atoms in block 496
Block first atom: 30465
Blocpdb> 60 atoms in block 497
Block first atom: 30519
Blocpdb> 52 atoms in block 498
Block first atom: 30579
Blocpdb> 60 atoms in block 499
Block first atom: 30631
Blocpdb> 42 atoms in block 500
Block first atom: 30691
Blocpdb> 58 atoms in block 501
Block first atom: 30733
Blocpdb> 53 atoms in block 502
Block first atom: 30791
Blocpdb> 59 atoms in block 503
Block first atom: 30844
Blocpdb> 54 atoms in block 504
Block first atom: 30903
Blocpdb> 55 atoms in block 505
Block first atom: 30957
Blocpdb> 69 atoms in block 506
Block first atom: 31012
Blocpdb> 53 atoms in block 507
Block first atom: 31081
Blocpdb> 54 atoms in block 508
Block first atom: 31134
Blocpdb> 57 atoms in block 509
Block first atom: 31188
Blocpdb> 69 atoms in block 510
Block first atom: 31245
Blocpdb> 66 atoms in block 511
Block first atom: 31314
Blocpdb> 60 atoms in block 512
Block first atom: 31380
Blocpdb> 54 atoms in block 513
Block first atom: 31440
Blocpdb> 64 atoms in block 514
Block first atom: 31494
Blocpdb> 60 atoms in block 515
Block first atom: 31558
Blocpdb> 58 atoms in block 516
Block first atom: 31618
Blocpdb> 68 atoms in block 517
Block first atom: 31676
Blocpdb> 63 atoms in block 518
Block first atom: 31744
Blocpdb> 62 atoms in block 519
Block first atom: 31807
Blocpdb> 53 atoms in block 520
Block first atom: 31869
Blocpdb> 67 atoms in block 521
Block first atom: 31922
Blocpdb> 67 atoms in block 522
Block first atom: 31989
Blocpdb> 66 atoms in block 523
Block first atom: 32056
Blocpdb> 57 atoms in block 524
Block first atom: 32122
Blocpdb> 60 atoms in block 525
Block first atom: 32179
Blocpdb> 65 atoms in block 526
Block first atom: 32239
Blocpdb> 55 atoms in block 527
Block first atom: 32304
Blocpdb> 65 atoms in block 528
Block first atom: 32359
Blocpdb> 61 atoms in block 529
Block first atom: 32424
Blocpdb> 65 atoms in block 530
Block first atom: 32485
Blocpdb> 59 atoms in block 531
Block first atom: 32550
Blocpdb> 65 atoms in block 532
Block first atom: 32609
Blocpdb> 63 atoms in block 533
Block first atom: 32674
Blocpdb> 61 atoms in block 534
Block first atom: 32737
Blocpdb> 58 atoms in block 535
Block first atom: 32798
Blocpdb> 67 atoms in block 536
Block first atom: 32856
Blocpdb> 58 atoms in block 537
Block first atom: 32923
Blocpdb> 66 atoms in block 538
Block first atom: 32981
Blocpdb> 58 atoms in block 539
Block first atom: 33047
Blocpdb> 61 atoms in block 540
Block first atom: 33105
Blocpdb> 70 atoms in block 541
Block first atom: 33166
Blocpdb> 59 atoms in block 542
Block first atom: 33236
Blocpdb> 69 atoms in block 543
Block first atom: 33295
Blocpdb> 50 atoms in block 544
Block first atom: 33364
Blocpdb> 64 atoms in block 545
Block first atom: 33414
Blocpdb> 53 atoms in block 546
Block first atom: 33478
Blocpdb> 61 atoms in block 547
Block first atom: 33531
Blocpdb> 64 atoms in block 548
Block first atom: 33592
Blocpdb> 63 atoms in block 549
Block first atom: 33656
Blocpdb> 64 atoms in block 550
Block first atom: 33719
Blocpdb> 54 atoms in block 551
Block first atom: 33783
Blocpdb> 56 atoms in block 552
Block first atom: 33837
Blocpdb> 59 atoms in block 553
Block first atom: 33893
Blocpdb> 65 atoms in block 554
Block first atom: 33952
Blocpdb> 62 atoms in block 555
Block first atom: 34017
Blocpdb> 59 atoms in block 556
Block first atom: 34079
Blocpdb> 50 atoms in block 557
Block first atom: 34138
Blocpdb> 59 atoms in block 558
Block first atom: 34188
Blocpdb> 54 atoms in block 559
Block first atom: 34247
Blocpdb> 58 atoms in block 560
Block first atom: 34301
Blocpdb> 53 atoms in block 561
Block first atom: 34359
Blocpdb> 62 atoms in block 562
Block first atom: 34412
Blocpdb> 62 atoms in block 563
Block first atom: 34474
Blocpdb> 60 atoms in block 564
Block first atom: 34536
Blocpdb> 64 atoms in block 565
Block first atom: 34596
Blocpdb> 63 atoms in block 566
Block first atom: 34660
Blocpdb> 55 atoms in block 567
Block first atom: 34723
Blocpdb> 55 atoms in block 568
Block first atom: 34778
Blocpdb> 59 atoms in block 569
Block first atom: 34833
Blocpdb> 58 atoms in block 570
Block first atom: 34892
Blocpdb> 56 atoms in block 571
Block first atom: 34950
Blocpdb> 63 atoms in block 572
Block first atom: 35006
Blocpdb> 50 atoms in block 573
Block first atom: 35069
Blocpdb> 63 atoms in block 574
Block first atom: 35119
Blocpdb> 56 atoms in block 575
Block first atom: 35182
Blocpdb> 58 atoms in block 576
Block first atom: 35238
Blocpdb> 61 atoms in block 577
Block first atom: 35296
Blocpdb> 66 atoms in block 578
Block first atom: 35357
Blocpdb> 55 atoms in block 579
Block first atom: 35423
Blocpdb> 65 atoms in block 580
Block first atom: 35478
Blocpdb> 55 atoms in block 581
Block first atom: 35543
Blocpdb> 59 atoms in block 582
Block first atom: 35598
Blocpdb> 62 atoms in block 583
Block first atom: 35657
Blocpdb> 59 atoms in block 584
Block first atom: 35719
Blocpdb> 54 atoms in block 585
Block first atom: 35778
Blocpdb> 64 atoms in block 586
Block first atom: 35832
Blocpdb> 58 atoms in block 587
Block first atom: 35896
Blocpdb> 58 atoms in block 588
Block first atom: 35954
Blocpdb> 73 atoms in block 589
Block first atom: 36012
Blocpdb> 66 atoms in block 590
Block first atom: 36085
Blocpdb> 74 atoms in block 591
Block first atom: 36151
Blocpdb> 63 atoms in block 592
Block first atom: 36225
Blocpdb> 68 atoms in block 593
Block first atom: 36288
Blocpdb> 55 atoms in block 594
Block first atom: 36356
Blocpdb> 56 atoms in block 595
Block first atom: 36411
Blocpdb> 66 atoms in block 596
Block first atom: 36467
Blocpdb> 66 atoms in block 597
Block first atom: 36533
Blocpdb> 52 atoms in block 598
Block first atom: 36599
Blocpdb> 58 atoms in block 599
Block first atom: 36651
Blocpdb> 43 atoms in block 600
Block first atom: 36709
Blocpdb> 63 atoms in block 601
Block first atom: 36752
Blocpdb> 69 atoms in block 602
Block first atom: 36815
Blocpdb> 69 atoms in block 603
Block first atom: 36884
Blocpdb> 60 atoms in block 604
Block first atom: 36953
Blocpdb> 81 atoms in block 605
Block first atom: 37013
Blocpdb> 64 atoms in block 606
Block first atom: 37094
Blocpdb> 61 atoms in block 607
Block first atom: 37158
Blocpdb> 67 atoms in block 608
Block first atom: 37219
Blocpdb> 60 atoms in block 609
Block first atom: 37286
Blocpdb> 69 atoms in block 610
Block first atom: 37346
Blocpdb> 69 atoms in block 611
Block first atom: 37415
Blocpdb> 70 atoms in block 612
Block first atom: 37484
Blocpdb> 55 atoms in block 613
Block first atom: 37554
Blocpdb> 67 atoms in block 614
Block first atom: 37609
Blocpdb> 76 atoms in block 615
Block first atom: 37676
Blocpdb> 60 atoms in block 616
Block first atom: 37752
Blocpdb> 67 atoms in block 617
Block first atom: 37812
Blocpdb> 52 atoms in block 618
Block first atom: 37879
Blocpdb> 61 atoms in block 619
Block first atom: 37931
Blocpdb> 47 atoms in block 620
Block first atom: 37992
Blocpdb> 65 atoms in block 621
Block first atom: 38039
Blocpdb> 72 atoms in block 622
Block first atom: 38104
Blocpdb> 70 atoms in block 623
Block first atom: 38176
Blocpdb> 56 atoms in block 624
Block first atom: 38246
Blocpdb> 65 atoms in block 625
Block first atom: 38302
Blocpdb> 75 atoms in block 626
Block first atom: 38367
Blocpdb> 57 atoms in block 627
Block first atom: 38442
Blocpdb> 65 atoms in block 628
Block first atom: 38499
Blocpdb> 61 atoms in block 629
Block first atom: 38564
Blocpdb> 63 atoms in block 630
Block first atom: 38625
Blocpdb> 64 atoms in block 631
Block first atom: 38688
Blocpdb> 69 atoms in block 632
Block first atom: 38752
Blocpdb> 72 atoms in block 633
Block first atom: 38821
Blocpdb> 68 atoms in block 634
Block first atom: 38893
Blocpdb> 69 atoms in block 635
Block first atom: 38961
Blocpdb> 61 atoms in block 636
Block first atom: 39030
Blocpdb> 65 atoms in block 637
Block first atom: 39091
Blocpdb> 58 atoms in block 638
Block first atom: 39156
Blocpdb> 78 atoms in block 639
Block first atom: 39214
Blocpdb> 70 atoms in block 640
Block first atom: 39292
Blocpdb> 58 atoms in block 641
Block first atom: 39362
Blocpdb> 61 atoms in block 642
Block first atom: 39420
Blocpdb> 70 atoms in block 643
Block first atom: 39481
Blocpdb> 68 atoms in block 644
Block first atom: 39551
Blocpdb> 65 atoms in block 645
Block first atom: 39619
Blocpdb> 63 atoms in block 646
Block first atom: 39684
Blocpdb> 58 atoms in block 647
Block first atom: 39747
Blocpdb> 78 atoms in block 648
Block first atom: 39805
Blocpdb> 67 atoms in block 649
Block first atom: 39883
Blocpdb> 66 atoms in block 650
Block first atom: 39950
Blocpdb> 59 atoms in block 651
Block first atom: 40016
Blocpdb> 57 atoms in block 652
Block first atom: 40075
Blocpdb> 71 atoms in block 653
Block first atom: 40132
Blocpdb> 58 atoms in block 654
Block first atom: 40203
Blocpdb> 53 atoms in block 655
Block first atom: 40261
Blocpdb> 62 atoms in block 656
Block first atom: 40314
Blocpdb> 70 atoms in block 657
Block first atom: 40376
Blocpdb> 68 atoms in block 658
Block first atom: 40446
Blocpdb> 54 atoms in block 659
Block first atom: 40514
Blocpdb> 54 atoms in block 660
Block first atom: 40568
Blocpdb> 53 atoms in block 661
Block first atom: 40622
Blocpdb> 54 atoms in block 662
Block first atom: 40675
Blocpdb> 60 atoms in block 663
Block first atom: 40729
Blocpdb> 52 atoms in block 664
Block first atom: 40788
Blocpdb> 664 blocks.
Blocpdb> At most, 81 atoms in each of them.
Blocpdb> At least, 42 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.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 14681240 matrix lines read.
Prepmat> Matrix order = 122520
Prepmat> Matrix trace = 32084580.0001
Prepmat> Last element read: 122520 122520 164.2607
Prepmat> 220781 lines saved.
Prepmat> 216104 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 40840
RTB> Total mass = 40840.0000
RTB> Number of atoms found in matrix: 40840
RTB> Number of blocks = 664
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 600859.1067
RTB> 158376 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 3984
Diagstd> Nb of non-zero elements: 158376
Diagstd> Projected matrix trace = 600859.1067
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 3984 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 600859.1067
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0029177 0.0082288 0.0159271 0.0304152
0.0443872 0.0506869 0.0556498 0.0608178 0.0615692
0.0648450 0.0676858 0.0711938 0.0869304 0.1008168
0.1059812 0.1109161 0.1222444 0.1234200 0.1300868
0.1369580 0.1434380 0.1536096 0.1588989 0.2080876
0.2203514 0.2512881 0.2630619 0.2707931 0.2882266
0.2940371 0.3110097 0.3263771 0.3384201 0.3452995
0.3514826 0.3886777 0.3987692 0.4118330 0.4141464
0.4335127 0.4635044 0.5312036 0.5454532 0.5542332
0.5666227 0.5891347 0.6052644 0.6124238 0.6253308
0.6411453 0.6565800 0.6686860 0.6769569 0.6911128
0.6970126 0.7052331 0.7157867 0.7458268 0.8481155
0.8537985 0.8641850 0.8881734 0.9178414 0.9374360
0.9840145 1.0125821 1.0163292 1.0518883 1.1052940
1.1291651 1.1649389 1.2044331 1.2113544 1.2509236
1.2569892 1.3047127 1.3517685 1.3622841 1.3727505
1.3974555 1.4118617 1.4218665 1.4395503 1.5078463
1.5538749 1.5817413 1.6128615 1.6568477 1.6698799
1.7312870 1.7554768 1.7711521 1.8082732 1.8191877
1.8740362 1.8843013 1.9206511 1.9556161 1.9861979
2.0263335
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034328 0.0034339 0.0034341 0.0034348
0.0034349 5.8656095 9.8506468 13.7045022 18.9382834
22.8783144 24.4479972 25.6169216 26.7800118 26.9449383
27.6524387 28.2516761 28.9745320 32.0170328 34.4795628
35.3516463 36.1653437 37.9673030 38.1494283 39.1662393
40.1873142 41.1270366 42.5602754 43.2868221 49.5357142
50.9745224 54.4353796 55.6960284 56.5085367 58.2991633
58.8838731 60.5594941 62.0376173 63.1718134 63.8106669
64.3794371 67.7002222 68.5734654 69.6876565 69.8831115
71.4983822 73.9302584 79.1454220 80.1999350 80.8428373
81.7414356 83.3494192 84.4827142 84.9808944 85.8717263
86.9507869 87.9911741 88.7986550 89.3461423 90.2754658
90.6599728 91.1930285 91.8728284 93.7808758 100.0052435
100.3397413 100.9482126 102.3397051 104.0349136 105.1395455
107.7199217 109.2723800 109.4743790 111.3730465 114.1653152
115.3915512 117.2051910 119.1753988 119.5173313 121.4536768
121.7477798 124.0374198 126.2543762 126.7445000 127.2304568
128.3702148 129.0301988 129.4865594 130.2892864 133.3441059
135.3640410 136.5724229 137.9093848 139.7772760 140.3259186
142.8827539 143.8774828 144.5184208 146.0250302 146.4650608
148.6566233 149.0632038 150.4941174 151.8577918 153.0405572
154.5790875
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 40840
Rtb_to_modes> Number of blocs = 664
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9900E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.9177E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.2288E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.5927E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.0415E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.4387E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.0687E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.5650E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.0818E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.1569E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.4845E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 6.7686E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.1194E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.6930E-02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.1008
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.1060
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.1109
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1222
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1234
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.1301
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.1370
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.1434
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.1536
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.1589
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.2081
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.2204
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.2513
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.2631
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.2708
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.2882
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.2940
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.3110
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.3264
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.3384
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.3453
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.3515
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 0.3887
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 0.3988
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 0.4118
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 0.4141
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 0.4335
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 0.4635
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 0.5312
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 0.5455
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 0.5542
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 0.5666
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 0.5891
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 0.6053
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 0.6124
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 0.6253
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 0.6411
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 0.6566
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 0.6687
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 0.6770
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 0.6911
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 0.6970
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 0.7052
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 0.7158
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 0.7458
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 0.8481
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 0.8538
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 0.8642
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 0.8882
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 0.9178
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 0.9374
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 0.9840
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 1.013
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 1.016
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 1.052
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 1.105
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 1.129
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 1.165
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 1.204
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 1.211
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 1.251
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 1.257
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 1.305
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 1.352
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 1.362
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 1.373
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 1.397
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 1.412
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 1.422
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 1.440
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 1.508
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 1.554
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 1.582
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 1.613
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 1.657
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 1.670
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 1.731
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 1.755
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 1.771
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 1.808
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 1.819
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 1.874
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 1.884
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 1.921
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 1.956
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 1.986
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 2.026
Rtb_to_modes> 106 vectors, with 3984 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 0.99995 1.00003 1.00000 1.00003
1.00000 0.99997 1.00000 0.99996 0.99998
0.99997 0.99998 0.99999 0.99999 0.99999
1.00000 1.00001 0.99998 0.99999 1.00004
0.99996 0.99999 1.00000 1.00002 0.99998
1.00002 1.00000 0.99991 0.99998 0.99998
1.00000 0.99996 0.99999 1.00000 1.00003
1.00000 1.00002 1.00000 1.00000 1.00001
1.00000 0.99998 1.00001 1.00000 1.00001
1.00001 1.00000 1.00002 1.00000 1.00000
1.00004 1.00000 1.00001 1.00002 1.00003
1.00000 0.99998 1.00003 0.99999 1.00000
0.99998 0.99998 1.00000 1.00001 1.00003
0.99999 1.00000 1.00000 0.99999 0.99998
0.99998 1.00000 0.99998 0.99999 0.99999
1.00000 0.99997 1.00001 1.00000 1.00001
1.00001 0.99999 1.00001 1.00001 1.00000
0.99999 1.00001 1.00000 1.00001 1.00000
0.99999 1.00000 0.99999 1.00001 1.00002
0.99998 1.00000 1.00000 1.00000 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 735120 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 0.99995 1.00003 1.00000 1.00003
1.00000 0.99997 1.00000 0.99996 0.99998
0.99997 0.99998 0.99999 0.99999 0.99999
1.00000 1.00001 0.99998 0.99999 1.00004
0.99996 0.99999 1.00000 1.00002 0.99998
1.00002 1.00000 0.99991 0.99998 0.99998
1.00000 0.99996 0.99999 1.00000 1.00003
1.00000 1.00002 1.00000 1.00000 1.00001
1.00000 0.99998 1.00001 1.00000 1.00001
1.00001 1.00000 1.00002 1.00000 1.00000
1.00004 1.00000 1.00001 1.00002 1.00003
1.00000 0.99998 1.00003 0.99999 1.00000
0.99998 0.99998 1.00000 1.00001 1.00003
0.99999 1.00000 1.00000 0.99999 0.99998
0.99998 1.00000 0.99998 0.99999 0.99999
1.00000 0.99997 1.00001 1.00000 1.00001
1.00001 0.99999 1.00001 1.00001 1.00000
0.99999 1.00001 1.00000 1.00001 1.00000
0.99999 1.00000 0.99999 1.00001 1.00002
0.99998 1.00000 1.00000 1.00000 1.00001
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000 0.000
Vector 6:-0.000-0.000-0.000-0.000-0.000
Vector 7: 0.000-0.000-0.000 0.000 0.000-0.000
Vector 8: 0.000 0.000 0.000 0.000 0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000-0.000 0.000-0.000 0.000-0.000
Vector 10:-0.000 0.000-0.000-0.000 0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607020602011894524.eigenfacs
Openam> file on opening on unit 10:
2607020602011894524.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2607020602011894524.atom
Openam> file on opening on unit 11:
2607020602011894524.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
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
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9900E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9177E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2288E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5927E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0415E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.4387E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.0687E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5650E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.0818E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1569E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.4845E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7686E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1194E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.6930E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1301
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1589
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2631
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5542
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6253
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 1.013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 1.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 1.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 1.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 1.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 1.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 1.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 1.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 1.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 1.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 1.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 1.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 1.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 1.373
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 1.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 1.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 1.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 1.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 1.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 1.554
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 1.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 1.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 1.657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 1.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 1.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 1.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 1.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 1.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 1.819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 1.874
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 1.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 1.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 1.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 1.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 2.026
Bfactors> 106 vectors, 122520 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.002918
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.183 for 5308 C-alpha atoms.
Bfactors> = 0.341 +/- 4.35
Bfactors> = 76.520 +/- 17.22
Bfactors> Shiftng-fct= 76.179
Bfactors> Scaling-fct= 3.958
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607020602011894524.eigenfacs
Openam> file on opening on unit 10:
2607020602011894524.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4321E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4348E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 5.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 9.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 22.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 24.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 25.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 26.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 26.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 27.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 32.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 34.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 35.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 36.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 37.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 38.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 39.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 40.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 41.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 42.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 43.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 49.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 50.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 54.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 55.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 56.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 58.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 58.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 60.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 62.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 63.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 63.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 64.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 67.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 68.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 69.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 69.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 71.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 73.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 79.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 80.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 80.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 81.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 83.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 84.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 84.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 85.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 86.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 87.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 88.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 89.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 90.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 90.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 91.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 91.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 93.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 100.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 100.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 102.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 104.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 107.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 109.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 109.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 114.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 115.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 117.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 119.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 121.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 121.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 124.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 126.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 126.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 127.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 128.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 129.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 129.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 130.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 133.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 135.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 136.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 137.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 139.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 140.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 142.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 143.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 144.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 146.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 146.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 148.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 149.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 150.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 151.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 153.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 154.6
Chkmod> 106 vectors, 122520 coordinates in file.
Chkmod> That is: 40840 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 7 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 33 is: 0.9998 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7333
0.0034 0.8264
0.0034 0.9959
0.0034 0.9279
0.0034 0.8066
0.0034 0.9469
5.8654 0.0039
9.8502 0.0026
13.7039 0.0112
18.9374 0.0103
22.8773 0.0045
24.4470 0.0070
25.6159 0.0250
26.7789 0.0107
26.9437 0.0092
27.6513 0.0156
28.2505 0.0078
28.9733 0.1641
32.0156 0.0399
34.4752 0.0727
35.3533 0.3226
36.1612 0.1513
37.9588 0.0641
38.1447 0.1171
39.1665 0.0808
40.1918 0.0881
41.1198 0.1893
42.5571 0.2140
43.2851 0.1246
49.5351 0.0813
50.9780 0.0699
54.4343 0.0309
55.6977 0.0175
56.5068 0.2136
58.2940 0.1067
58.8776 0.1664
60.5560 0.0927
62.0371 0.2085
63.1672 0.0327
63.8080 0.0455
64.3783 0.5573
67.6993 0.0669
68.5732 0.4147
69.6819 0.7410
69.8762 0.5689
71.4943 0.7133
73.9267 0.2029
79.1418 0.2049
80.1999 0.4706
80.8369 0.1494
81.7363 0.2518
83.3434 0.3811
84.4816 0.2972
84.9756 0.6207
85.8659 0.1663
86.9440 0.1386
87.9887 0.3341
88.7958 0.0293
89.3451 0.2426
90.2708 0.0415
90.6553 0.0595
91.1870 0.0153
91.8697 0.1074
93.7752 0.0984
100.0000 0.4847
100.3355 0.3223
100.9448 0.4439
102.3368 0.3999
104.0281 0.0125
105.1330 0.1230
107.7145 0.1689
109.2902 0.3837
109.4519 0.1057
111.3742 0.1587
114.1452 0.1414
115.3782 0.1668
117.2032 0.2195
119.1489 0.2627
119.4947 0.2073
121.4522 0.0835
121.7431 0.5287
124.0458 0.2053
126.2598 0.2856
126.7258 0.2936
127.2366 0.2023
128.3438 0.2449
129.0310 0.1552
129.4871 0.0766
130.3040 0.1597
133.3452 0.0338
135.3637 0.0835
136.5777 0.3824
137.9094 0.2648
139.7777 0.3954
140.3249 0.4557
142.8648 0.1980
143.8518 0.3360
144.5060 0.2307
146.0077 0.2116
146.4512 0.2856
148.6488 0.1616
149.0449 0.2243
150.5013 0.0520
151.8662 0.0572
153.0264 0.1495
154.5597 0.4531
getting mode 7
running: ../../bin/get_modes.sh 2607020602011894524 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=0
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=100
2607020602011894524.eigenfacs
2607020602011894524.atom
making animated gifs
11 models are in 2607020602011894524.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2607020602011894524 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=0
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=100
2607020602011894524.eigenfacs
2607020602011894524.atom
making animated gifs
11 models are in 2607020602011894524.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2607020602011894524 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=0
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=100
2607020602011894524.eigenfacs
2607020602011894524.atom
making animated gifs
11 models are in 2607020602011894524.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2607020602011894524 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=0
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=100
2607020602011894524.eigenfacs
2607020602011894524.atom
making animated gifs
11 models are in 2607020602011894524.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2607020602011894524 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=-20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=0
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=20
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=40
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=60
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=80
2607020602011894524.eigenfacs
2607020602011894524.atom
calculating perturbed structure for DQ=100
2607020602011894524.eigenfacs
2607020602011894524.atom
making animated gifs
11 models are in 2607020602011894524.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2607020602011894524.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2607020602011894524.10.pdb
2607020602011894524.11.pdb
2607020602011894524.7.pdb
2607020602011894524.8.pdb
2607020602011894524.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 39m12.002s
user 39m9.157s
sys 0m2.005s
rm: cannot remove '2607020602011894524.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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