***  VIRAL PROTEIN 24-NOV-20 7B18  ***
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 = 220207192319103858.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 220207192319103858.atom to be opened.
Openam> File opened: 220207192319103858.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 = 3742
First residue number = 29
Last residue number = 113
Number of atoms found = 29489
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 313.063488 +/- 28.016609 From: 247.116000 To: 387.809000
= 305.273581 +/- 24.730167 From: 228.688000 To: 366.172000
= 287.501001 +/- 45.043296 From: 187.526000 To: 393.853000
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 -2.8734 % Filled.
Pdbmat> 10968288 non-zero elements.
Pdbmat> 1199246 atom-atom interactions.
Pdbmat> Number per atom= 81.34 +/- 21.71
Maximum number = 132
Minimum number = 11
Pdbmat> Matrix trace = 2.398492E+07
Pdbmat> Larger element = 501.525
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
3742 non-zero elements, NRBL set to 19
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 = 220207192319103858.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 19
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 220207192319103858.atom to be opened.
Openam> file on opening on unit 11:
220207192319103858.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 29489 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 19 residue(s) per block.
Blocpdb> 3742 residues.
Blocpdb> 157 atoms in block 1
Block first atom: 1
Blocpdb> 167 atoms in block 2
Block first atom: 158
Blocpdb> 30 atoms in block 3
Block first atom: 325
Blocpdb> 155 atoms in block 4
Block first atom: 355
Blocpdb> 152 atoms in block 5
Block first atom: 510
Blocpdb> 142 atoms in block 6
Block first atom: 662
Blocpdb> 102 atoms in block 7
Block first atom: 804
Blocpdb> 158 atoms in block 8
Block first atom: 906
Blocpdb> 33 atoms in block 9
Block first atom: 1064
Blocpdb> 169 atoms in block 10
Block first atom: 1097
Blocpdb> 150 atoms in block 11
Block first atom: 1266
Blocpdb> 142 atoms in block 12
Block first atom: 1416
Blocpdb> 167 atoms in block 13
Block first atom: 1558
Blocpdb> 133 atoms in block 14
Block first atom: 1725
Blocpdb> 156 atoms in block 15
Block first atom: 1858
Blocpdb> 146 atoms in block 16
Block first atom: 2014
Blocpdb> 165 atoms in block 17
Block first atom: 2160
Blocpdb> 145 atoms in block 18
Block first atom: 2325
Blocpdb> 150 atoms in block 19
Block first atom: 2470
Blocpdb> 144 atoms in block 20
Block first atom: 2620
Blocpdb> 149 atoms in block 21
Block first atom: 2764
Blocpdb> 155 atoms in block 22
Block first atom: 2913
Blocpdb> 165 atoms in block 23
Block first atom: 3068
Blocpdb> 143 atoms in block 24
Block first atom: 3233
Blocpdb> 154 atoms in block 25
Block first atom: 3376
Blocpdb> 128 atoms in block 26
Block first atom: 3530
Blocpdb> 144 atoms in block 27
Block first atom: 3658
Blocpdb> 155 atoms in block 28
Block first atom: 3802
Blocpdb> 146 atoms in block 29
Block first atom: 3957
Blocpdb> 127 atoms in block 30
Block first atom: 4103
Blocpdb> 117 atoms in block 31
Block first atom: 4230
Blocpdb> 141 atoms in block 32
Block first atom: 4347
Blocpdb> 108 atoms in block 33
Block first atom: 4488
Blocpdb> 138 atoms in block 34
Block first atom: 4596
Blocpdb> 142 atoms in block 35
Block first atom: 4734
Blocpdb> 137 atoms in block 36
Block first atom: 4876
Blocpdb> 149 atoms in block 37
Block first atom: 5013
Blocpdb> 146 atoms in block 38
Block first atom: 5162
Blocpdb> 157 atoms in block 39
Block first atom: 5308
Blocpdb> 155 atoms in block 40
Block first atom: 5465
Blocpdb> 39 atoms in block 41
Block first atom: 5620
Blocpdb> 149 atoms in block 42
Block first atom: 5659
Blocpdb> 125 atoms in block 43
Block first atom: 5808
Blocpdb> 148 atoms in block 44
Block first atom: 5933
Blocpdb> 154 atoms in block 45
Block first atom: 6081
Blocpdb> 133 atoms in block 46
Block first atom: 6235
Blocpdb> 142 atoms in block 47
Block first atom: 6368
Blocpdb> 142 atoms in block 48
Block first atom: 6510
Blocpdb> 151 atoms in block 49
Block first atom: 6652
Blocpdb> 146 atoms in block 50
Block first atom: 6803
Blocpdb> 140 atoms in block 51
Block first atom: 6949
Blocpdb> 149 atoms in block 52
Block first atom: 7089
Blocpdb> 146 atoms in block 53
Block first atom: 7238
Blocpdb> 148 atoms in block 54
Block first atom: 7384
Blocpdb> 168 atoms in block 55
Block first atom: 7532
Blocpdb> 141 atoms in block 56
Block first atom: 7700
Blocpdb> 56 atoms in block 57
Block first atom: 7841
Blocpdb> 52 atoms in block 58
Block first atom: 7897
Blocpdb> 161 atoms in block 59
Block first atom: 7949
Blocpdb> 159 atoms in block 60
Block first atom: 8110
Blocpdb> 11 atoms in block 61
Block first atom: 8269
Blocpdb> 148 atoms in block 62
Block first atom: 8280
Blocpdb> 151 atoms in block 63
Block first atom: 8428
Blocpdb> 149 atoms in block 64
Block first atom: 8579
Blocpdb> 77 atoms in block 65
Block first atom: 8728
Blocpdb> 165 atoms in block 66
Block first atom: 8805
Blocpdb> 13 atoms in block 67
Block first atom: 8970
Blocpdb> 174 atoms in block 68
Block first atom: 8983
Blocpdb> 63 atoms in block 69
Block first atom: 9157
Blocpdb> 140 atoms in block 70
Block first atom: 9220
Blocpdb> 90 atoms in block 71
Block first atom: 9360
Blocpdb> 164 atoms in block 72
Block first atom: 9450
Blocpdb> 135 atoms in block 73
Block first atom: 9614
Blocpdb> 155 atoms in block 74
Block first atom: 9749
Blocpdb> 149 atoms in block 75
Block first atom: 9904
Blocpdb> 161 atoms in block 76
Block first atom: 10053
Blocpdb> 142 atoms in block 77
Block first atom: 10214
Blocpdb> 149 atoms in block 78
Block first atom: 10356
Blocpdb> 149 atoms in block 79
Block first atom: 10505
Blocpdb> 148 atoms in block 80
Block first atom: 10654
Blocpdb> 151 atoms in block 81
Block first atom: 10802
Blocpdb> 169 atoms in block 82
Block first atom: 10953
Blocpdb> 144 atoms in block 83
Block first atom: 11122
Blocpdb> 154 atoms in block 84
Block first atom: 11266
Blocpdb> 126 atoms in block 85
Block first atom: 11420
Blocpdb> 149 atoms in block 86
Block first atom: 11546
Blocpdb> 148 atoms in block 87
Block first atom: 11695
Blocpdb> 149 atoms in block 88
Block first atom: 11843
Blocpdb> 129 atoms in block 89
Block first atom: 11992
Blocpdb> 123 atoms in block 90
Block first atom: 12121
Blocpdb> 141 atoms in block 91
Block first atom: 12244
Blocpdb> 108 atoms in block 92
Block first atom: 12385
Blocpdb> 138 atoms in block 93
Block first atom: 12493
Blocpdb> 142 atoms in block 94
Block first atom: 12631
Blocpdb> 137 atoms in block 95
Block first atom: 12773
Blocpdb> 149 atoms in block 96
Block first atom: 12910
Blocpdb> 146 atoms in block 97
Block first atom: 13059
Blocpdb> 157 atoms in block 98
Block first atom: 13205
Blocpdb> 155 atoms in block 99
Block first atom: 13362
Blocpdb> 39 atoms in block 100
Block first atom: 13517
Blocpdb> 149 atoms in block 101
Block first atom: 13556
Blocpdb> 125 atoms in block 102
Block first atom: 13705
Blocpdb> 148 atoms in block 103
Block first atom: 13830
Blocpdb> 154 atoms in block 104
Block first atom: 13978
Blocpdb> 133 atoms in block 105
Block first atom: 14132
Blocpdb> 142 atoms in block 106
Block first atom: 14265
Blocpdb> 142 atoms in block 107
Block first atom: 14407
Blocpdb> 151 atoms in block 108
Block first atom: 14549
Blocpdb> 146 atoms in block 109
Block first atom: 14700
Blocpdb> 140 atoms in block 110
Block first atom: 14846
Blocpdb> 149 atoms in block 111
Block first atom: 14986
Blocpdb> 146 atoms in block 112
Block first atom: 15135
Blocpdb> 148 atoms in block 113
Block first atom: 15281
Blocpdb> 168 atoms in block 114
Block first atom: 15429
Blocpdb> 141 atoms in block 115
Block first atom: 15597
Blocpdb> 56 atoms in block 116
Block first atom: 15738
Blocpdb> 150 atoms in block 117
Block first atom: 15794
Blocpdb> 156 atoms in block 118
Block first atom: 15944
Blocpdb> 166 atoms in block 119
Block first atom: 16100
Blocpdb> 155 atoms in block 120
Block first atom: 16266
Blocpdb> 152 atoms in block 121
Block first atom: 16421
Blocpdb> 142 atoms in block 122
Block first atom: 16573
Blocpdb> 114 atoms in block 123
Block first atom: 16715
Blocpdb> 165 atoms in block 124
Block first atom: 16829
Blocpdb> 48 atoms in block 125
Block first atom: 16994
Blocpdb> 174 atoms in block 126
Block first atom: 17042
Blocpdb> 147 atoms in block 127
Block first atom: 17216
Blocpdb> 151 atoms in block 128
Block first atom: 17363
Blocpdb> 40 atoms in block 129
Block first atom: 17514
Blocpdb> 134 atoms in block 130
Block first atom: 17554
Blocpdb> 153 atoms in block 131
Block first atom: 17688
Blocpdb> 142 atoms in block 132
Block first atom: 17841
Blocpdb> 154 atoms in block 133
Block first atom: 17983
Blocpdb> 151 atoms in block 134
Block first atom: 18137
Blocpdb> 159 atoms in block 135
Block first atom: 18288
Blocpdb> 144 atoms in block 136
Block first atom: 18447
Blocpdb> 155 atoms in block 137
Block first atom: 18591
Blocpdb> 142 atoms in block 138
Block first atom: 18746
Blocpdb> 152 atoms in block 139
Block first atom: 18888
Blocpdb> 162 atoms in block 140
Block first atom: 19040
Blocpdb> 151 atoms in block 141
Block first atom: 19202
Blocpdb> 152 atoms in block 142
Block first atom: 19353
Blocpdb> 151 atoms in block 143
Block first atom: 19505
Blocpdb> 125 atoms in block 144
Block first atom: 19656
Blocpdb> 139 atoms in block 145
Block first atom: 19781
Blocpdb> 158 atoms in block 146
Block first atom: 19920
Blocpdb> 23 atoms in block 147
Block first atom: 20078
Blocpdb> 130 atoms in block 148
Block first atom: 20101
Blocpdb> 138 atoms in block 149
Block first atom: 20231
Blocpdb> 141 atoms in block 150
Block first atom: 20369
Blocpdb> 108 atoms in block 151
Block first atom: 20510
Blocpdb> 138 atoms in block 152
Block first atom: 20618
Blocpdb> 142 atoms in block 153
Block first atom: 20756
Blocpdb> 137 atoms in block 154
Block first atom: 20898
Blocpdb> 149 atoms in block 155
Block first atom: 21035
Blocpdb> 146 atoms in block 156
Block first atom: 21184
Blocpdb> 157 atoms in block 157
Block first atom: 21330
Blocpdb> 155 atoms in block 158
Block first atom: 21487
Blocpdb> 39 atoms in block 159
Block first atom: 21642
Blocpdb> 149 atoms in block 160
Block first atom: 21681
Blocpdb> 125 atoms in block 161
Block first atom: 21830
Blocpdb> 148 atoms in block 162
Block first atom: 21955
Blocpdb> 154 atoms in block 163
Block first atom: 22103
Blocpdb> 133 atoms in block 164
Block first atom: 22257
Blocpdb> 142 atoms in block 165
Block first atom: 22390
Blocpdb> 142 atoms in block 166
Block first atom: 22532
Blocpdb> 151 atoms in block 167
Block first atom: 22674
Blocpdb> 146 atoms in block 168
Block first atom: 22825
Blocpdb> 140 atoms in block 169
Block first atom: 22971
Blocpdb> 149 atoms in block 170
Block first atom: 23111
Blocpdb> 146 atoms in block 171
Block first atom: 23260
Blocpdb> 148 atoms in block 172
Block first atom: 23406
Blocpdb> 168 atoms in block 173
Block first atom: 23554
Blocpdb> 141 atoms in block 174
Block first atom: 23722
Blocpdb> 56 atoms in block 175
Block first atom: 23863
Blocpdb> 129 atoms in block 176
Block first atom: 23919
Blocpdb> 147 atoms in block 177
Block first atom: 24048
Blocpdb> 140 atoms in block 178
Block first atom: 24195
Blocpdb> 150 atoms in block 179
Block first atom: 24335
Blocpdb> 172 atoms in block 180
Block first atom: 24485
Blocpdb> 234 atoms in block 181
Block first atom: 24657
Blocpdb> 128 atoms in block 182
Block first atom: 24891
Blocpdb> 140 atoms in block 183
Block first atom: 25019
Blocpdb> 141 atoms in block 184
Block first atom: 25159
Blocpdb> 147 atoms in block 185
Block first atom: 25300
Blocpdb> 169 atoms in block 186
Block first atom: 25447
Blocpdb> 160 atoms in block 187
Block first atom: 25616
Blocpdb> 129 atoms in block 188
Block first atom: 25776
Blocpdb> 147 atoms in block 189
Block first atom: 25905
Blocpdb> 140 atoms in block 190
Block first atom: 26052
Blocpdb> 150 atoms in block 191
Block first atom: 26192
Blocpdb> 172 atoms in block 192
Block first atom: 26342
Blocpdb> 234 atoms in block 193
Block first atom: 26514
Blocpdb> 128 atoms in block 194
Block first atom: 26748
Blocpdb> 140 atoms in block 195
Block first atom: 26876
Blocpdb> 141 atoms in block 196
Block first atom: 27016
Blocpdb> 147 atoms in block 197
Block first atom: 27157
Blocpdb> 169 atoms in block 198
Block first atom: 27304
Blocpdb> 160 atoms in block 199
Block first atom: 27473
Blocpdb> 129 atoms in block 200
Block first atom: 27633
Blocpdb> 147 atoms in block 201
Block first atom: 27762
Blocpdb> 140 atoms in block 202
Block first atom: 27909
Blocpdb> 150 atoms in block 203
Block first atom: 28049
Blocpdb> 172 atoms in block 204
Block first atom: 28199
Blocpdb> 234 atoms in block 205
Block first atom: 28371
Blocpdb> 128 atoms in block 206
Block first atom: 28605
Blocpdb> 140 atoms in block 207
Block first atom: 28733
Blocpdb> 141 atoms in block 208
Block first atom: 28873
Blocpdb> 147 atoms in block 209
Block first atom: 29014
Blocpdb> 169 atoms in block 210
Block first atom: 29161
Blocpdb> 160 atoms in block 211
Block first atom: 29329
Blocpdb> 211 blocks.
Blocpdb> At most, 234 atoms in each of them.
Blocpdb> At least, 11 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: 62596639 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 0m0.175s
user 0m0.172s
sys 0m0.000s
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).
Last modification: October 18th, 2018.
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