*** PlanNO.2model1-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 = 2401150634111121472.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 2401150634111121472.atom to be opened.
Openam> File opened: 2401150634111121472.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 = 1115
First residue number = 1
Last residue number = 381
Number of atoms found = 8718
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -7.506262 +/- 26.310967 From: -55.374000 To: 64.972000
= -15.882105 +/- 25.786264 From: -77.084000 To: 32.829000
= 5.799516 +/- 17.224149 From: -36.971000 To: 54.644000
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 0.8417 % Filled.
Pdbmat> 2878913 non-zero elements.
Pdbmat> 314135 atom-atom interactions.
Pdbmat> Number per atom= 72.07 +/- 24.49
Maximum number = 124
Minimum number = 10
Pdbmat> Matrix trace = 6.282700E+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)
1115 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 = 2401150634111121472.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 2401150634111121472.atom to be opened.
Openam> file on opening on unit 11:
2401150634111121472.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8718 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> 1115 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> 41 atoms in block 161
Block first atom: 7528
Blocpdb> 46 atoms in block 162
Block first atom: 7569
Blocpdb> 34 atoms in block 163
Block first atom: 7615
Blocpdb> 46 atoms in block 164
Block first atom: 7649
Blocpdb> 53 atoms in block 165
Block first atom: 7695
Blocpdb> 44 atoms in block 166
Block first atom: 7748
Blocpdb> 44 atoms in block 167
Block first atom: 7792
Blocpdb> 41 atoms in block 168
Block first atom: 7836
Blocpdb> 34 atoms in block 169
Block first atom: 7877
Blocpdb> 46 atoms in block 170
Block first atom: 7911
Blocpdb> 41 atoms in block 171
Block first atom: 7957
Blocpdb> 40 atoms in block 172
Block first atom: 7998
Blocpdb> 41 atoms in block 173
Block first atom: 8038
Blocpdb> 56 atoms in block 174
Block first atom: 8079
Blocpdb> 44 atoms in block 175
Block first atom: 8135
Blocpdb> 45 atoms in block 176
Block first atom: 8179
Blocpdb> 52 atoms in block 177
Block first atom: 8224
Blocpdb> 52 atoms in block 178
Block first atom: 8276
Blocpdb> 41 atoms in block 179
Block first atom: 8328
Blocpdb> 49 atoms in block 180
Block first atom: 8369
Blocpdb> 49 atoms in block 181
Block first atom: 8418
Blocpdb> 49 atoms in block 182
Block first atom: 8467
Blocpdb> 39 atoms in block 183
Block first atom: 8516
Blocpdb> 51 atoms in block 184
Block first atom: 8555
Blocpdb> 50 atoms in block 185
Block first atom: 8606
Blocpdb> 48 atoms in block 186
Block first atom: 8656
Blocpdb> 15 atoms in block 187
Block first atom: 8703
Blocpdb> 187 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> 2879100 matrix lines read.
Prepmat> Matrix order = 26154
Prepmat> Matrix trace = 6282700.0000
Prepmat> Last element read: 26154 26154 43.9603
Prepmat> 17579 lines saved.
Prepmat> 16365 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: 8718
RTB> Total mass = 8718.0000
RTB> Number of atoms found in matrix: 8718
RTB> Number of blocks = 187
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 167554.6233
RTB> 40863 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 = 1122
Diagstd> Nb of non-zero elements: 40863
Diagstd> Projected matrix trace = 167554.6233
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1122 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 167554.6233
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 0.0060545 0.0084648 0.0165367 0.0172796
0.0284488 0.0339239 0.0355393 0.0462880 0.0498983
0.0664204 0.0818615 0.0944420 0.1156296 0.1218017
0.1340548 0.1425470 0.1672266 0.1811576 0.1972730
0.2134864 0.2501589 0.2776202 0.2931143 0.3055345
0.3223444 0.3422198 0.3634443 0.3986900 0.4592800
0.5298336 0.5539000 0.5716345 0.6272312 0.6377602
0.6798210 0.7107187 0.7820162 0.7990603 0.8500772
0.8918539 0.9278406 0.9459962 1.0432798 1.0842878
1.1468811 1.1849130 1.2253250 1.3296049 1.4607391
1.5269932 1.5830506 1.6189732 1.6382379 1.7723267
1.8100138 1.9681007 2.0066636 2.0428405 2.0674829
2.2171440 2.4743438 2.5095973 2.5824079 2.6915420
2.7313581 2.7768156 2.9511187 3.0121322 3.1297395
3.1652929 3.2190416 3.2803931 3.3669032 3.5426460
3.8080190 3.8801516 4.2313588 4.2871933 4.3464068
4.4271373 4.5063073 4.5684916 4.7042923 4.7722750
4.9327958 5.0382592 5.0615287 5.1649869 5.2471626
5.5336836 5.5927153 5.6382376 5.8764657 6.0032155
6.1340369 6.4937009 6.5274485 6.6086109 6.7532971
6.8410971
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034335 0.0034338 0.0034340 0.0034341
0.0034343 8.4495593 9.9908794 13.9643289 14.2745515
18.3158584 20.0008375 20.4714885 23.3630450 24.2570516
27.9863338 31.0695565 33.3716562 36.9257962 37.8984934
39.7590854 40.9991036 44.4066388 46.2193154 48.2313185
50.1741897 54.3129386 57.2164391 58.7913946 60.0240644
61.6531575 63.5254644 65.4657588 68.5666531 73.5925802
79.0432908 80.8185344 82.1021453 86.0021096 86.7209452
89.5349416 91.5470041 96.0291683 97.0700075 100.1208354
102.5515304 104.6000655 105.6184933 110.9163781 113.0752526
116.2932413 118.2057251 120.2045574 125.2150652 131.2446501
134.1880454 136.6289345 138.1704306 138.9900663 144.5663342
146.0952921 152.3417493 153.8269987 155.2074318 156.1407428
161.6933755 170.8147232 172.0272703 174.5049313 178.1541159
179.4669994 180.9542550 186.5471504 188.4656892 192.1097367
193.1978243 194.8312298 196.6791049 199.2556283 204.3897712
211.9067704 213.9043553 223.3753286 224.8442651 226.3916807
228.4845168 230.5184459 232.1035022 235.5279369 237.2236638
241.1803095 243.7448975 244.3071239 246.7913264 248.7468230
255.4479610 256.8068698 257.8498995 263.2409094 266.0646930
268.9480940 276.7205559 277.4386796 279.1581882 282.1975301
284.0260396
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8718
Rtb_to_modes> Number of blocs = 187
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: 9.9929E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.0545E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.4648E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.6537E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.7280E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.8449E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.3924E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.5539E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.6288E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.9898E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.6420E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.1861E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.4442E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.1156
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.1218
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.1341
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.1425
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1672
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1812
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.1973
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.2135
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.2502
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.2776
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.2931
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.3055
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.3223
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.3422
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.3634
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.3987
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.4593
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.5298
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.5539
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.5716
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.6272
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.6378
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.6798
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 0.7107
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 0.7820
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 0.7991
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 0.8501
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 0.8919
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 0.9278
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 0.9460
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 1.043
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 1.084
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 1.147
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 1.185
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 1.225
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 1.330
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 1.461
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 1.527
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 1.583
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 1.619
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 1.638
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 1.772
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 1.810
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 1.968
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 2.007
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 2.043
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 2.067
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 2.217
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 2.474
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 2.510
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 2.582
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 2.692
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 2.731
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 2.777
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 2.951
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 3.012
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 3.130
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 3.165
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 3.219
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 3.280
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 3.367
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 3.543
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 3.808
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 3.880
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 4.231
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 4.287
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 4.346
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 4.427
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 4.506
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 4.568
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 4.704
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 4.772
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 4.933
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 5.038
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 5.062
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 5.165
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 5.247
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 5.534
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 5.593
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 5.638
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 5.876
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 6.003
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 6.134
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 6.494
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 6.527
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 6.609
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 6.753
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 6.841
Rtb_to_modes> 106 vectors, with 1122 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00001 1.00000 1.00000
1.00002 1.00000 1.00000 0.99999 1.00002
1.00002 0.99998 1.00004 0.99998 1.00000
0.99998 1.00004 0.99999 1.00002 0.99998
1.00002 1.00000 0.99999 0.99999 0.99997
0.99999 1.00004 1.00002 0.99999 1.00002
1.00000 1.00000 0.99997 0.99997 1.00002
0.99999 1.00001 0.99999 1.00001 1.00002
1.00003 1.00001 0.99999 0.99994 0.99998
0.99997 1.00000 1.00002 0.99999 0.99998
0.99999 1.00000 0.99999 0.99999 1.00000
0.99998 1.00001 1.00000 1.00001 0.99998
0.99999 1.00003 0.99997 1.00001 1.00002
0.99998 0.99999 1.00000 1.00000 1.00003
1.00003 0.99999 0.99998 1.00001 0.99997
1.00006 1.00002 1.00003 1.00002 0.99999
1.00005 0.99997 1.00001 1.00003 0.99999
1.00001 1.00001 1.00000 1.00001 0.99997
1.00003 1.00001 1.00002 1.00000 0.99999
1.00001 1.00000 1.00002 0.99998 1.00001
0.99997 1.00002 0.99999 1.00000 0.99999
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 156924 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00001 1.00000 1.00000
1.00002 1.00000 1.00000 0.99999 1.00002
1.00002 0.99998 1.00004 0.99998 1.00000
0.99998 1.00004 0.99999 1.00002 0.99998
1.00002 1.00000 0.99999 0.99999 0.99997
0.99999 1.00004 1.00002 0.99999 1.00002
1.00000 1.00000 0.99997 0.99997 1.00002
0.99999 1.00001 0.99999 1.00001 1.00002
1.00003 1.00001 0.99999 0.99994 0.99998
0.99997 1.00000 1.00002 0.99999 0.99998
0.99999 1.00000 0.99999 0.99999 1.00000
0.99998 1.00001 1.00000 1.00001 0.99998
0.99999 1.00003 0.99997 1.00001 1.00002
0.99998 0.99999 1.00000 1.00000 1.00003
1.00003 0.99999 0.99998 1.00001 0.99997
1.00006 1.00002 1.00003 1.00002 0.99999
1.00005 0.99997 1.00001 1.00003 0.99999
1.00001 1.00001 1.00000 1.00001 0.99997
1.00003 1.00001 1.00002 1.00000 0.99999
1.00001 1.00000 1.00002 0.99998 1.00001
0.99997 1.00002 0.99999 1.00000 0.99999
0.99998
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> 2401150634111121472.eigenfacs
Openam> file on opening on unit 10:
2401150634111121472.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401150634111121472.atom
Openam> file on opening on unit 11:
2401150634111121472.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 = 1115
First residue number = 1
Last residue number = 381
Number of atoms found = 8718
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9929E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.0545E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.4648E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6537E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7280E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8449E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3924E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5539E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.6288E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9898E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6420E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1861E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.4442E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2135
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5298
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6798
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9460
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 1.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 1.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 1.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 1.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 1.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 1.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 1.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 1.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 1.810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 1.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 2.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 2.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 2.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 2.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 2.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 2.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 2.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 2.951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 3.367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 3.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 3.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 3.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.427
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.841
Bfactors> 106 vectors, 26154 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 : 0.006054
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 2401150634111121472 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=0
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=100
2401150634111121472.eigenfacs
2401150634111121472.atom
making animated gifs
11 models are in 2401150634111121472.7.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 2401150634111121472.7.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 2401150634111121472.7.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 2401150634111121472 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=0
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=100
2401150634111121472.eigenfacs
2401150634111121472.atom
making animated gifs
11 models are in 2401150634111121472.8.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 2401150634111121472.8.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 2401150634111121472.8.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 2401150634111121472 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=0
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=100
2401150634111121472.eigenfacs
2401150634111121472.atom
making animated gifs
11 models are in 2401150634111121472.9.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 2401150634111121472.9.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 2401150634111121472.9.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 2401150634111121472 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=0
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=100
2401150634111121472.eigenfacs
2401150634111121472.atom
making animated gifs
11 models are in 2401150634111121472.10.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 2401150634111121472.10.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 2401150634111121472.10.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 2401150634111121472 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=-20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=0
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=20
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=40
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=60
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=80
2401150634111121472.eigenfacs
2401150634111121472.atom
calculating perturbed structure for DQ=100
2401150634111121472.eigenfacs
2401150634111121472.atom
making animated gifs
11 models are in 2401150634111121472.11.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 2401150634111121472.11.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 2401150634111121472.11.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
2401150634111121472.10.pdb
2401150634111121472.11.pdb
2401150634111121472.7.pdb
2401150634111121472.8.pdb
2401150634111121472.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m43.008s
user 0m42.855s
sys 0m0.152s
../../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: 2401150634111121472.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
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pstopnm: Writing ppmraw format
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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
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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
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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
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
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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).
Last modification: April 25th, 2023.
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