*** PlanNO.3model1-TLR4-MD2-model1 ***
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 = 2401150634381121490.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 2401150634381121490.atom to be opened.
Openam> File opened: 2401150634381121490.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 = 1109
First residue number = 1
Last residue number = 375
Number of atoms found = 8740
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -13.090025 +/- 22.031610 From: -55.374000 To: 34.020000
= 6.754134 +/- 19.958194 From: -37.021000 To: 67.528000
= -8.439460 +/- 21.967657 From: -73.237000 To: 36.570000
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 0.8639 % Filled.
Pdbmat> 2969802 non-zero elements.
Pdbmat> 324218 atom-atom interactions.
Pdbmat> Number per atom= 74.19 +/- 23.40
Maximum number = 124
Minimum number = 11
Pdbmat> Matrix trace = 6.484360E+06
Pdbmat> Larger element = 469.048
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1109 non-zero elements, NRBL set to 6
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 = 2401150634381121490.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
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 2401150634381121490.atom to be opened.
Openam> file on opening on unit 11:
2401150634381121490.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8740 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1109 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 51 atoms in block 2
Block first atom: 45
Blocpdb> 48 atoms in block 3
Block first atom: 96
Blocpdb> 45 atoms in block 4
Block first atom: 144
Blocpdb> 43 atoms in block 5
Block first atom: 189
Blocpdb> 49 atoms in block 6
Block first atom: 232
Blocpdb> 48 atoms in block 7
Block first atom: 281
Blocpdb> 50 atoms in block 8
Block first atom: 329
Blocpdb> 51 atoms in block 9
Block first atom: 379
Blocpdb> 55 atoms in block 10
Block first atom: 430
Blocpdb> 47 atoms in block 11
Block first atom: 485
Blocpdb> 55 atoms in block 12
Block first atom: 532
Blocpdb> 46 atoms in block 13
Block first atom: 587
Blocpdb> 43 atoms in block 14
Block first atom: 633
Blocpdb> 49 atoms in block 15
Block first atom: 676
Blocpdb> 40 atoms in block 16
Block first atom: 725
Blocpdb> 42 atoms in block 17
Block first atom: 765
Blocpdb> 44 atoms in block 18
Block first atom: 807
Blocpdb> 43 atoms in block 19
Block first atom: 851
Blocpdb> 45 atoms in block 20
Block first atom: 894
Blocpdb> 49 atoms in block 21
Block first atom: 939
Blocpdb> 47 atoms in block 22
Block first atom: 988
Blocpdb> 49 atoms in block 23
Block first atom: 1035
Blocpdb> 52 atoms in block 24
Block first atom: 1084
Blocpdb> 45 atoms in block 25
Block first atom: 1136
Blocpdb> 46 atoms in block 26
Block first atom: 1181
Blocpdb> 56 atoms in block 27
Block first atom: 1227
Blocpdb> 46 atoms in block 28
Block first atom: 1283
Blocpdb> 56 atoms in block 29
Block first atom: 1329
Blocpdb> 45 atoms in block 30
Block first atom: 1385
Blocpdb> 46 atoms in block 31
Block first atom: 1430
Blocpdb> 51 atoms in block 32
Block first atom: 1476
Blocpdb> 46 atoms in block 33
Block first atom: 1527
Blocpdb> 52 atoms in block 34
Block first atom: 1573
Blocpdb> 49 atoms in block 35
Block first atom: 1625
Blocpdb> 44 atoms in block 36
Block first atom: 1674
Blocpdb> 47 atoms in block 37
Block first atom: 1718
Blocpdb> 42 atoms in block 38
Block first atom: 1765
Blocpdb> 49 atoms in block 39
Block first atom: 1807
Blocpdb> 57 atoms in block 40
Block first atom: 1856
Blocpdb> 53 atoms in block 41
Block first atom: 1913
Blocpdb> 42 atoms in block 42
Block first atom: 1966
Blocpdb> 44 atoms in block 43
Block first atom: 2008
Blocpdb> 54 atoms in block 44
Block first atom: 2052
Blocpdb> 52 atoms in block 45
Block first atom: 2106
Blocpdb> 51 atoms in block 46
Block first atom: 2158
Blocpdb> 44 atoms in block 47
Block first atom: 2209
Blocpdb> 38 atoms in block 48
Block first atom: 2253
Blocpdb> 46 atoms in block 49
Block first atom: 2291
Blocpdb> 48 atoms in block 50
Block first atom: 2337
Blocpdb> 59 atoms in block 51
Block first atom: 2385
Blocpdb> 47 atoms in block 52
Block first atom: 2444
Blocpdb> 53 atoms in block 53
Block first atom: 2491
Blocpdb> 49 atoms in block 54
Block first atom: 2544
Blocpdb> 46 atoms in block 55
Block first atom: 2593
Blocpdb> 42 atoms in block 56
Block first atom: 2639
Blocpdb> 50 atoms in block 57
Block first atom: 2681
Blocpdb> 40 atoms in block 58
Block first atom: 2731
Blocpdb> 53 atoms in block 59
Block first atom: 2771
Blocpdb> 44 atoms in block 60
Block first atom: 2824
Blocpdb> 40 atoms in block 61
Block first atom: 2868
Blocpdb> 41 atoms in block 62
Block first atom: 2908
Blocpdb> 53 atoms in block 63
Block first atom: 2949
Blocpdb> 42 atoms in block 64
Block first atom: 3002
Blocpdb> 46 atoms in block 65
Block first atom: 3044
Blocpdb> 46 atoms in block 66
Block first atom: 3090
Blocpdb> 55 atoms in block 67
Block first atom: 3136
Blocpdb> 51 atoms in block 68
Block first atom: 3191
Blocpdb> 45 atoms in block 69
Block first atom: 3242
Blocpdb> 51 atoms in block 70
Block first atom: 3287
Blocpdb> 52 atoms in block 71
Block first atom: 3338
Blocpdb> 49 atoms in block 72
Block first atom: 3390
Blocpdb> 47 atoms in block 73
Block first atom: 3439
Blocpdb> 44 atoms in block 74
Block first atom: 3486
Blocpdb> 48 atoms in block 75
Block first atom: 3530
Blocpdb> 43 atoms in block 76
Block first atom: 3578
Blocpdb> 45 atoms in block 77
Block first atom: 3621
Blocpdb> 45 atoms in block 78
Block first atom: 3666
Blocpdb> 50 atoms in block 79
Block first atom: 3711
Blocpdb> 46 atoms in block 80
Block first atom: 3761
Blocpdb> 50 atoms in block 81
Block first atom: 3807
Blocpdb> 51 atoms in block 82
Block first atom: 3857
Blocpdb> 52 atoms in block 83
Block first atom: 3908
Blocpdb> 48 atoms in block 84
Block first atom: 3960
Blocpdb> 47 atoms in block 85
Block first atom: 4008
Blocpdb> 59 atoms in block 86
Block first atom: 4055
Blocpdb> 43 atoms in block 87
Block first atom: 4114
Blocpdb> 50 atoms in block 88
Block first atom: 4157
Blocpdb> 43 atoms in block 89
Block first atom: 4207
Blocpdb> 54 atoms in block 90
Block first atom: 4250
Blocpdb> 49 atoms in block 91
Block first atom: 4304
Blocpdb> 44 atoms in block 92
Block first atom: 4353
Blocpdb> 44 atoms in block 93
Block first atom: 4397
Blocpdb> 60 atoms in block 94
Block first atom: 4441
Blocpdb> 52 atoms in block 95
Block first atom: 4501
Blocpdb> 50 atoms in block 96
Block first atom: 4553
Blocpdb> 42 atoms in block 97
Block first atom: 4603
Blocpdb> 46 atoms in block 98
Block first atom: 4645
Blocpdb> 48 atoms in block 99
Block first atom: 4691
Blocpdb> 44 atoms in block 100
Block first atom: 4739
Blocpdb> 54 atoms in block 101
Block first atom: 4783
Blocpdb> 41 atoms in block 102
Block first atom: 4837
Blocpdb> 54 atoms in block 103
Block first atom: 4878
Blocpdb> 49 atoms in block 104
Block first atom: 4932
Blocpdb> 42 atoms in block 105
Block first atom: 4981
Blocpdb> 49 atoms in block 106
Block first atom: 5023
Blocpdb> 47 atoms in block 107
Block first atom: 5072
Blocpdb> 50 atoms in block 108
Block first atom: 5119
Blocpdb> 57 atoms in block 109
Block first atom: 5169
Blocpdb> 52 atoms in block 110
Block first atom: 5226
Blocpdb> 46 atoms in block 111
Block first atom: 5278
Blocpdb> 52 atoms in block 112
Block first atom: 5324
Blocpdb> 46 atoms in block 113
Block first atom: 5376
Blocpdb> 51 atoms in block 114
Block first atom: 5422
Blocpdb> 46 atoms in block 115
Block first atom: 5473
Blocpdb> 43 atoms in block 116
Block first atom: 5519
Blocpdb> 48 atoms in block 117
Block first atom: 5562
Blocpdb> 47 atoms in block 118
Block first atom: 5610
Blocpdb> 51 atoms in block 119
Block first atom: 5657
Blocpdb> 39 atoms in block 120
Block first atom: 5708
Blocpdb> 53 atoms in block 121
Block first atom: 5747
Blocpdb> 48 atoms in block 122
Block first atom: 5800
Blocpdb> 18 atoms in block 123
Block first atom: 5848
Blocpdb> 44 atoms in block 124
Block first atom: 5866
Blocpdb> 46 atoms in block 125
Block first atom: 5910
Blocpdb> 41 atoms in block 126
Block first atom: 5956
Blocpdb> 35 atoms in block 127
Block first atom: 5997
Blocpdb> 44 atoms in block 128
Block first atom: 6032
Blocpdb> 50 atoms in block 129
Block first atom: 6076
Blocpdb> 50 atoms in block 130
Block first atom: 6126
Blocpdb> 50 atoms in block 131
Block first atom: 6176
Blocpdb> 53 atoms in block 132
Block first atom: 6226
Blocpdb> 48 atoms in block 133
Block first atom: 6279
Blocpdb> 50 atoms in block 134
Block first atom: 6327
Blocpdb> 52 atoms in block 135
Block first atom: 6377
Blocpdb> 50 atoms in block 136
Block first atom: 6429
Blocpdb> 47 atoms in block 137
Block first atom: 6479
Blocpdb> 47 atoms in block 138
Block first atom: 6526
Blocpdb> 49 atoms in block 139
Block first atom: 6573
Blocpdb> 48 atoms in block 140
Block first atom: 6622
Blocpdb> 47 atoms in block 141
Block first atom: 6670
Blocpdb> 49 atoms in block 142
Block first atom: 6717
Blocpdb> 47 atoms in block 143
Block first atom: 6766
Blocpdb> 44 atoms in block 144
Block first atom: 6813
Blocpdb> 46 atoms in block 145
Block first atom: 6857
Blocpdb> 42 atoms in block 146
Block first atom: 6903
Blocpdb> 41 atoms in block 147
Block first atom: 6945
Blocpdb> 47 atoms in block 148
Block first atom: 6986
Blocpdb> 38 atoms in block 149
Block first atom: 7033
Blocpdb> 50 atoms in block 150
Block first atom: 7071
Blocpdb> 40 atoms in block 151
Block first atom: 7121
Blocpdb> 40 atoms in block 152
Block first atom: 7161
Blocpdb> 40 atoms in block 153
Block first atom: 7201
Blocpdb> 38 atoms in block 154
Block first atom: 7241
Blocpdb> 40 atoms in block 155
Block first atom: 7279
Blocpdb> 46 atoms in block 156
Block first atom: 7319
Blocpdb> 42 atoms in block 157
Block first atom: 7365
Blocpdb> 42 atoms in block 158
Block first atom: 7407
Blocpdb> 48 atoms in block 159
Block first atom: 7449
Blocpdb> 31 atoms in block 160
Block first atom: 7497
Blocpdb> 46 atoms in block 161
Block first atom: 7528
Blocpdb> 44 atoms in block 162
Block first atom: 7574
Blocpdb> 41 atoms in block 163
Block first atom: 7618
Blocpdb> 52 atoms in block 164
Block first atom: 7659
Blocpdb> 54 atoms in block 165
Block first atom: 7711
Blocpdb> 46 atoms in block 166
Block first atom: 7765
Blocpdb> 41 atoms in block 167
Block first atom: 7811
Blocpdb> 50 atoms in block 168
Block first atom: 7852
Blocpdb> 38 atoms in block 169
Block first atom: 7902
Blocpdb> 53 atoms in block 170
Block first atom: 7940
Blocpdb> 48 atoms in block 171
Block first atom: 7993
Blocpdb> 46 atoms in block 172
Block first atom: 8041
Blocpdb> 47 atoms in block 173
Block first atom: 8087
Blocpdb> 48 atoms in block 174
Block first atom: 8134
Blocpdb> 52 atoms in block 175
Block first atom: 8182
Blocpdb> 42 atoms in block 176
Block first atom: 8234
Blocpdb> 49 atoms in block 177
Block first atom: 8276
Blocpdb> 42 atoms in block 178
Block first atom: 8325
Blocpdb> 52 atoms in block 179
Block first atom: 8367
Blocpdb> 45 atoms in block 180
Block first atom: 8419
Blocpdb> 58 atoms in block 181
Block first atom: 8464
Blocpdb> 55 atoms in block 182
Block first atom: 8522
Blocpdb> 51 atoms in block 183
Block first atom: 8577
Blocpdb> 50 atoms in block 184
Block first atom: 8628
Blocpdb> 48 atoms in block 185
Block first atom: 8678
Blocpdb> 15 atoms in block 186
Block first atom: 8725
Blocpdb> 186 blocks.
Blocpdb> At most, 60 atoms in each of them.
Blocpdb> At least, 15 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> 2969988 matrix lines read.
Prepmat> Matrix order = 26220
Prepmat> Matrix trace = 6484360.0000
Prepmat> Last element read: 26220 26220 139.0902
Prepmat> 17392 lines saved.
Prepmat> 16084 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: 8740
RTB> Total mass = 8740.0000
RTB> Number of atoms found in matrix: 8740
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 176586.7033
RTB> 44262 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 = 1116
Diagstd> Nb of non-zero elements: 44262
Diagstd> Projected matrix trace = 176586.7033
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 176586.7033
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 0.0055008 0.0256385 0.0408400 0.0683832
0.1360192 0.1445990 0.1731155 0.1986293 0.2544673
0.2626938 0.3472551 0.3703860 0.4525194 0.5244818
0.5593566 0.6381956 0.6480520 0.7693101 0.8035408
0.8300288 1.0988951 1.1668685 1.2311746 1.2660624
1.4612715 1.5047232 1.5759027 1.7286638 1.7656378
1.8330127 1.8927810 2.0276401 2.0930704 2.2663082
2.2858811 2.5001174 2.6284958 2.7044296 2.8262559
3.2190980 3.4952931 3.6531055 3.9037856 3.9281262
4.1052864 4.1827227 4.3571903 4.5849983 4.6493827
4.7921503 4.9580077 5.0449633 5.1009577 5.2630651
5.4404051 5.5626560 5.7280523 5.9609458 6.1609113
6.2706843 6.5369366 6.7204805 6.9931580 7.1341030
7.2208906 7.4474559 7.6695941 7.7989635 7.9040944
8.1526535 8.3122629 8.5088891 8.7511535 8.9517804
9.0450455 9.1484348 9.3658696 9.4456405 9.6478305
10.0849206 10.3213565 10.4499764 10.6105600 10.6453247
10.8237364 11.0381488 11.3840244 11.5131725 11.5677576
11.6751488 11.9752438 12.0191255 12.4875125 12.7378089
13.0390535 13.0947529 13.2407589 13.5639317 13.6219733
13.7527048
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034334 0.0034339 0.0034345 0.0034346
0.0034346 8.0539571 17.3876622 21.9451234 28.3968374
40.0493429 41.2931437 45.1817782 48.3968263 54.7786420
55.6570467 63.9911064 66.0879911 73.0489368 78.6430787
81.2156390 86.7505398 87.4178682 95.2458369 97.3417733
98.9331553 113.8343699 117.3022227 120.4911352 122.1863903
131.2685629 133.2059401 136.3201266 142.7744666 144.2932749
147.0205394 149.3982359 154.6289191 157.1039838 163.4762854
164.1806984 171.7020512 176.0552257 178.5801244 182.5580644
194.8329368 203.0191849 207.5517447 214.5548111 215.2226599
220.0224572 222.0878595 226.6723478 232.5224401 234.1493344
237.7171401 241.7958699 243.9070108 245.2568474 249.1234740
253.2858344 256.1158063 259.8955035 265.1263331 269.5366086
271.9272605 277.6402430 281.5110469 287.1652944 290.0447233
291.8036120 296.3461232 300.7332651 303.2590182 305.2961588
310.0593069 313.0797045 316.7610043 321.2387537 324.9002088
326.5883266 328.4495553 332.3298361 333.7420945 337.2951630
344.8510255 348.8700358 351.0370323 353.7239233 354.3029233
357.2595806 360.7807872 366.3896427 368.4620688 369.3344937
371.0449218 375.7832884 376.4711620 383.7366225 387.5632995
392.1193865 392.9560089 395.1406589 399.9337706 400.7885373
402.7071503
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8740
Rtb_to_modes> Number of blocs = 186
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: 9.9947E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9969E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.5008E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.5638E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.0840E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.8383E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1360
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1446
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1731
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1986
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2545
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.2627
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3473
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.3704
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.4525
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.5245
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.5594
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.6382
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.6481
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.7693
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.8035
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.8300
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.099
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.167
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.231
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.266
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.461
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.505
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.576
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.729
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.766
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.833
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.893
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.028
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.093
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.266
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.286
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.500
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.628
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.704
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.826
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.219
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.495
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.653
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.904
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.928
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 4.105
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 4.183
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 4.357
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4.585
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4.649
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.792
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.958
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 5.045
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 5.101
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 5.263
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 5.440
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 5.563
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 5.728
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.961
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 6.161
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 6.271
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 6.537
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 6.720
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.993
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 7.134
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 7.221
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 7.447
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 7.670
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 7.799
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 7.904
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 8.153
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 8.312
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 8.509
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 8.751
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 8.952
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 9.045
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 9.148
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 9.366
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 9.446
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 9.648
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 10.08
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 10.32
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 10.45
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 10.65
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 10.82
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 11.04
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 11.57
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 11.68
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 12.02
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 12.49
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 13.09
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 13.24
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 13.56
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 13.62
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 13.75
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00001 1.00000 0.99998
1.00000 0.99998 1.00002 0.99997 0.99995
1.00001 0.99998 1.00001 0.99997 0.99997
1.00000 0.99998 1.00002 1.00000 0.99998
1.00001 0.99998 0.99999 1.00000 0.99995
0.99998 1.00000 1.00002 0.99998 0.99997
1.00003 0.99997 1.00001 1.00000 0.99999
1.00002 1.00001 1.00001 1.00000 0.99998
1.00003 1.00002 0.99999 0.99999 1.00001
1.00000 1.00002 1.00003 1.00000 1.00001
1.00003 0.99998 0.99999 0.99999 1.00002
1.00001 1.00001 0.99998 0.99997 1.00002
0.99998 1.00000 1.00000 1.00002 1.00002
0.99999 1.00000 0.99998 1.00000 1.00000
1.00000 1.00001 1.00000 1.00002 1.00004
1.00001 0.99998 0.99998 1.00001 0.99999
0.99999 1.00000 1.00000 1.00001 0.99999
1.00000 1.00001 1.00002 1.00002 1.00004
1.00000 1.00002 0.99996 0.99998 0.99999
1.00001 0.99998 1.00001 1.00001 0.99997
0.99999 1.00000 1.00001 0.99998 0.99999
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 157320 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00001 1.00000 0.99998
1.00000 0.99998 1.00002 0.99997 0.99995
1.00001 0.99998 1.00001 0.99997 0.99997
1.00000 0.99998 1.00002 1.00000 0.99998
1.00001 0.99998 0.99999 1.00000 0.99995
0.99998 1.00000 1.00002 0.99998 0.99997
1.00003 0.99997 1.00001 1.00000 0.99999
1.00002 1.00001 1.00001 1.00000 0.99998
1.00003 1.00002 0.99999 0.99999 1.00001
1.00000 1.00002 1.00003 1.00000 1.00001
1.00003 0.99998 0.99999 0.99999 1.00002
1.00001 1.00001 0.99998 0.99997 1.00002
0.99998 1.00000 1.00000 1.00002 1.00002
0.99999 1.00000 0.99998 1.00000 1.00000
1.00000 1.00001 1.00000 1.00002 1.00004
1.00001 0.99998 0.99998 1.00001 0.99999
0.99999 1.00000 1.00000 1.00001 0.99999
1.00000 1.00001 1.00002 1.00002 1.00004
1.00000 1.00002 0.99996 0.99998 0.99999
1.00001 0.99998 1.00001 1.00001 0.99997
0.99999 1.00000 1.00001 0.99998 0.99999
1.00004
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> 2401150634381121490.eigenfacs
Openam> file on opening on unit 10:
2401150634381121490.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401150634381121490.atom
Openam> file on opening on unit 11:
2401150634381121490.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 = 1109
First residue number = 1
Last residue number = 375
Number of atoms found = 8740
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-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: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5008E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5638E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.0840E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8383E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2545
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2627
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5245
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 4.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 4.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 4.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4.649
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 5.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 5.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 5.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 5.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 5.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 5.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 6.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 6.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 6.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 6.720
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 7.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 7.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 7.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 7.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 7.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 7.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 8.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 8.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 8.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 8.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 8.952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 9.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 9.148
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 9.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 9.446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 9.648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 10.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 10.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 10.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 11.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 11.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 12.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 12.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 13.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 13.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Bfactors> 106 vectors, 26220 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 : 0.005501
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> = 0.000 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401150634381121490 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=0
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=100
2401150634381121490.eigenfacs
2401150634381121490.atom
making animated gifs
11 models are in 2401150634381121490.7.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 2401150634381121490.7.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 2401150634381121490.7.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 2401150634381121490 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=0
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=100
2401150634381121490.eigenfacs
2401150634381121490.atom
making animated gifs
11 models are in 2401150634381121490.8.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 2401150634381121490.8.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 2401150634381121490.8.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 2401150634381121490 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=0
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=100
2401150634381121490.eigenfacs
2401150634381121490.atom
making animated gifs
11 models are in 2401150634381121490.9.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 2401150634381121490.9.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 2401150634381121490.9.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 2401150634381121490 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=0
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=100
2401150634381121490.eigenfacs
2401150634381121490.atom
making animated gifs
11 models are in 2401150634381121490.10.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 2401150634381121490.10.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 2401150634381121490.10.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 2401150634381121490 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=-20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=0
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=20
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=40
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=60
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=80
2401150634381121490.eigenfacs
2401150634381121490.atom
calculating perturbed structure for DQ=100
2401150634381121490.eigenfacs
2401150634381121490.atom
making animated gifs
11 models are in 2401150634381121490.11.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 2401150634381121490.11.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 2401150634381121490.11.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
2401150634381121490.10.pdb
2401150634381121490.11.pdb
2401150634381121490.7.pdb
2401150634381121490.8.pdb
2401150634381121490.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m43.848s
user 0m43.689s
sys 0m0.140s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2401150634381121490.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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).
Last modification: April 25th, 2023.
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