*** PlanNO.3model1-TLR2-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 = 2401150636221121779.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 2401150636221121779.atom to be opened.
Openam> File opened: 2401150636221121779.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 = 924
First residue number = 1
Last residue number = 375
Number of atoms found = 7227
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 14.349202 +/- 16.376595 From: -26.168000 To: 72.016000
= 1.309778 +/- 19.530307 From: -40.465000 To: 51.602000
= -14.630542 +/- 29.088659 From: -83.904000 To: 40.472000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.0251 % Filled.
Pdbmat> 2409541 non-zero elements.
Pdbmat> 262946 atom-atom interactions.
Pdbmat> Number per atom= 72.77 +/- 24.30
Maximum number = 124
Minimum number = 11
Pdbmat> Matrix trace = 5.258920E+06
Pdbmat> Larger element = 474.761
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
924 non-zero elements, NRBL set to 5
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 = 2401150636221121779.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 2401150636221121779.atom to be opened.
Openam> file on opening on unit 11:
2401150636221121779.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7227 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 924 residues.
Blocpdb> 34 atoms in block 1
Block first atom: 1
Blocpdb> 28 atoms in block 2
Block first atom: 35
Blocpdb> 40 atoms in block 3
Block first atom: 63
Blocpdb> 38 atoms in block 4
Block first atom: 103
Blocpdb> 32 atoms in block 5
Block first atom: 141
Blocpdb> 33 atoms in block 6
Block first atom: 173
Blocpdb> 41 atoms in block 7
Block first atom: 206
Blocpdb> 44 atoms in block 8
Block first atom: 247
Blocpdb> 34 atoms in block 9
Block first atom: 291
Blocpdb> 35 atoms in block 10
Block first atom: 325
Blocpdb> 40 atoms in block 11
Block first atom: 360
Blocpdb> 37 atoms in block 12
Block first atom: 400
Blocpdb> 42 atoms in block 13
Block first atom: 437
Blocpdb> 37 atoms in block 14
Block first atom: 479
Blocpdb> 36 atoms in block 15
Block first atom: 516
Blocpdb> 43 atoms in block 16
Block first atom: 552
Blocpdb> 40 atoms in block 17
Block first atom: 595
Blocpdb> 34 atoms in block 18
Block first atom: 635
Blocpdb> 41 atoms in block 19
Block first atom: 669
Blocpdb> 35 atoms in block 20
Block first atom: 710
Blocpdb> 45 atoms in block 21
Block first atom: 745
Blocpdb> 39 atoms in block 22
Block first atom: 790
Blocpdb> 35 atoms in block 23
Block first atom: 829
Blocpdb> 39 atoms in block 24
Block first atom: 864
Blocpdb> 39 atoms in block 25
Block first atom: 903
Blocpdb> 43 atoms in block 26
Block first atom: 942
Blocpdb> 35 atoms in block 27
Block first atom: 985
Blocpdb> 45 atoms in block 28
Block first atom: 1020
Blocpdb> 43 atoms in block 29
Block first atom: 1065
Blocpdb> 33 atoms in block 30
Block first atom: 1108
Blocpdb> 42 atoms in block 31
Block first atom: 1141
Blocpdb> 36 atoms in block 32
Block first atom: 1183
Blocpdb> 46 atoms in block 33
Block first atom: 1219
Blocpdb> 38 atoms in block 34
Block first atom: 1265
Blocpdb> 45 atoms in block 35
Block first atom: 1303
Blocpdb> 43 atoms in block 36
Block first atom: 1348
Blocpdb> 34 atoms in block 37
Block first atom: 1391
Blocpdb> 44 atoms in block 38
Block first atom: 1425
Blocpdb> 40 atoms in block 39
Block first atom: 1469
Blocpdb> 42 atoms in block 40
Block first atom: 1509
Blocpdb> 44 atoms in block 41
Block first atom: 1551
Blocpdb> 39 atoms in block 42
Block first atom: 1595
Blocpdb> 44 atoms in block 43
Block first atom: 1634
Blocpdb> 39 atoms in block 44
Block first atom: 1678
Blocpdb> 34 atoms in block 45
Block first atom: 1717
Blocpdb> 42 atoms in block 46
Block first atom: 1751
Blocpdb> 36 atoms in block 47
Block first atom: 1793
Blocpdb> 41 atoms in block 48
Block first atom: 1829
Blocpdb> 42 atoms in block 49
Block first atom: 1870
Blocpdb> 47 atoms in block 50
Block first atom: 1912
Blocpdb> 40 atoms in block 51
Block first atom: 1959
Blocpdb> 43 atoms in block 52
Block first atom: 1999
Blocpdb> 33 atoms in block 53
Block first atom: 2042
Blocpdb> 39 atoms in block 54
Block first atom: 2075
Blocpdb> 36 atoms in block 55
Block first atom: 2114
Blocpdb> 37 atoms in block 56
Block first atom: 2150
Blocpdb> 36 atoms in block 57
Block first atom: 2187
Blocpdb> 44 atoms in block 58
Block first atom: 2223
Blocpdb> 42 atoms in block 59
Block first atom: 2267
Blocpdb> 54 atoms in block 60
Block first atom: 2309
Blocpdb> 36 atoms in block 61
Block first atom: 2363
Blocpdb> 43 atoms in block 62
Block first atom: 2399
Blocpdb> 44 atoms in block 63
Block first atom: 2442
Blocpdb> 37 atoms in block 64
Block first atom: 2486
Blocpdb> 42 atoms in block 65
Block first atom: 2523
Blocpdb> 36 atoms in block 66
Block first atom: 2565
Blocpdb> 42 atoms in block 67
Block first atom: 2601
Blocpdb> 44 atoms in block 68
Block first atom: 2643
Blocpdb> 39 atoms in block 69
Block first atom: 2687
Blocpdb> 45 atoms in block 70
Block first atom: 2726
Blocpdb> 36 atoms in block 71
Block first atom: 2771
Blocpdb> 38 atoms in block 72
Block first atom: 2807
Blocpdb> 37 atoms in block 73
Block first atom: 2845
Blocpdb> 38 atoms in block 74
Block first atom: 2882
Blocpdb> 43 atoms in block 75
Block first atom: 2920
Blocpdb> 37 atoms in block 76
Block first atom: 2963
Blocpdb> 40 atoms in block 77
Block first atom: 3000
Blocpdb> 40 atoms in block 78
Block first atom: 3040
Blocpdb> 36 atoms in block 79
Block first atom: 3080
Blocpdb> 47 atoms in block 80
Block first atom: 3116
Blocpdb> 36 atoms in block 81
Block first atom: 3163
Blocpdb> 45 atoms in block 82
Block first atom: 3199
Blocpdb> 47 atoms in block 83
Block first atom: 3244
Blocpdb> 35 atoms in block 84
Block first atom: 3291
Blocpdb> 37 atoms in block 85
Block first atom: 3326
Blocpdb> 37 atoms in block 86
Block first atom: 3363
Blocpdb> 40 atoms in block 87
Block first atom: 3400
Blocpdb> 37 atoms in block 88
Block first atom: 3440
Blocpdb> 38 atoms in block 89
Block first atom: 3477
Blocpdb> 44 atoms in block 90
Block first atom: 3515
Blocpdb> 44 atoms in block 91
Block first atom: 3559
Blocpdb> 45 atoms in block 92
Block first atom: 3603
Blocpdb> 41 atoms in block 93
Block first atom: 3648
Blocpdb> 34 atoms in block 94
Block first atom: 3689
Blocpdb> 41 atoms in block 95
Block first atom: 3723
Blocpdb> 40 atoms in block 96
Block first atom: 3764
Blocpdb> 42 atoms in block 97
Block first atom: 3804
Blocpdb> 37 atoms in block 98
Block first atom: 3846
Blocpdb> 42 atoms in block 99
Block first atom: 3883
Blocpdb> 38 atoms in block 100
Block first atom: 3925
Blocpdb> 49 atoms in block 101
Block first atom: 3963
Blocpdb> 44 atoms in block 102
Block first atom: 4012
Blocpdb> 36 atoms in block 103
Block first atom: 4056
Blocpdb> 42 atoms in block 104
Block first atom: 4092
Blocpdb> 50 atoms in block 105
Block first atom: 4134
Blocpdb> 41 atoms in block 106
Block first atom: 4184
Blocpdb> 33 atoms in block 107
Block first atom: 4225
Blocpdb> 26 atoms in block 108
Block first atom: 4258
Blocpdb> 40 atoms in block 109
Block first atom: 4284
Blocpdb> 29 atoms in block 110
Block first atom: 4324
Blocpdb> 36 atoms in block 111
Block first atom: 4353
Blocpdb> 40 atoms in block 112
Block first atom: 4389
Blocpdb> 37 atoms in block 113
Block first atom: 4429
Blocpdb> 27 atoms in block 114
Block first atom: 4466
Blocpdb> 34 atoms in block 115
Block first atom: 4493
Blocpdb> 36 atoms in block 116
Block first atom: 4527
Blocpdb> 39 atoms in block 117
Block first atom: 4563
Blocpdb> 45 atoms in block 118
Block first atom: 4602
Blocpdb> 42 atoms in block 119
Block first atom: 4647
Blocpdb> 42 atoms in block 120
Block first atom: 4689
Blocpdb> 40 atoms in block 121
Block first atom: 4731
Blocpdb> 43 atoms in block 122
Block first atom: 4771
Blocpdb> 41 atoms in block 123
Block first atom: 4814
Blocpdb> 42 atoms in block 124
Block first atom: 4855
Blocpdb> 48 atoms in block 125
Block first atom: 4897
Blocpdb> 38 atoms in block 126
Block first atom: 4945
Blocpdb> 39 atoms in block 127
Block first atom: 4983
Blocpdb> 38 atoms in block 128
Block first atom: 5022
Blocpdb> 41 atoms in block 129
Block first atom: 5060
Blocpdb> 41 atoms in block 130
Block first atom: 5101
Blocpdb> 34 atoms in block 131
Block first atom: 5142
Blocpdb> 47 atoms in block 132
Block first atom: 5176
Blocpdb> 41 atoms in block 133
Block first atom: 5223
Blocpdb> 36 atoms in block 134
Block first atom: 5264
Blocpdb> 37 atoms in block 135
Block first atom: 5300
Blocpdb> 36 atoms in block 136
Block first atom: 5337
Blocpdb> 42 atoms in block 137
Block first atom: 5373
Blocpdb> 31 atoms in block 138
Block first atom: 5415
Blocpdb> 38 atoms in block 139
Block first atom: 5446
Blocpdb> 36 atoms in block 140
Block first atom: 5484
Blocpdb> 34 atoms in block 141
Block first atom: 5520
Blocpdb> 36 atoms in block 142
Block first atom: 5554
Blocpdb> 35 atoms in block 143
Block first atom: 5590
Blocpdb> 33 atoms in block 144
Block first atom: 5625
Blocpdb> 35 atoms in block 145
Block first atom: 5658
Blocpdb> 35 atoms in block 146
Block first atom: 5693
Blocpdb> 33 atoms in block 147
Block first atom: 5728
Blocpdb> 35 atoms in block 148
Block first atom: 5761
Blocpdb> 33 atoms in block 149
Block first atom: 5796
Blocpdb> 41 atoms in block 150
Block first atom: 5829
Blocpdb> 29 atoms in block 151
Block first atom: 5870
Blocpdb> 37 atoms in block 152
Block first atom: 5899
Blocpdb> 43 atoms in block 153
Block first atom: 5936
Blocpdb> 25 atoms in block 154
Block first atom: 5979
Blocpdb> 36 atoms in block 155
Block first atom: 6004
Blocpdb> 35 atoms in block 156
Block first atom: 6040
Blocpdb> 37 atoms in block 157
Block first atom: 6075
Blocpdb> 34 atoms in block 158
Block first atom: 6112
Blocpdb> 43 atoms in block 159
Block first atom: 6146
Blocpdb> 49 atoms in block 160
Block first atom: 6189
Blocpdb> 39 atoms in block 161
Block first atom: 6238
Blocpdb> 34 atoms in block 162
Block first atom: 6277
Blocpdb> 36 atoms in block 163
Block first atom: 6311
Blocpdb> 42 atoms in block 164
Block first atom: 6347
Blocpdb> 34 atoms in block 165
Block first atom: 6389
Blocpdb> 39 atoms in block 166
Block first atom: 6423
Blocpdb> 42 atoms in block 167
Block first atom: 6462
Blocpdb> 37 atoms in block 168
Block first atom: 6504
Blocpdb> 40 atoms in block 169
Block first atom: 6541
Blocpdb> 40 atoms in block 170
Block first atom: 6581
Blocpdb> 40 atoms in block 171
Block first atom: 6621
Blocpdb> 44 atoms in block 172
Block first atom: 6661
Blocpdb> 40 atoms in block 173
Block first atom: 6705
Blocpdb> 37 atoms in block 174
Block first atom: 6745
Blocpdb> 35 atoms in block 175
Block first atom: 6782
Blocpdb> 37 atoms in block 176
Block first atom: 6817
Blocpdb> 44 atoms in block 177
Block first atom: 6854
Blocpdb> 40 atoms in block 178
Block first atom: 6898
Blocpdb> 42 atoms in block 179
Block first atom: 6938
Blocpdb> 46 atoms in block 180
Block first atom: 6980
Blocpdb> 45 atoms in block 181
Block first atom: 7026
Blocpdb> 44 atoms in block 182
Block first atom: 7071
Blocpdb> 43 atoms in block 183
Block first atom: 7115
Blocpdb> 38 atoms in block 184
Block first atom: 7158
Blocpdb> 32 atoms in block 185
Block first atom: 7195
Blocpdb> 185 blocks.
Blocpdb> At most, 54 atoms in each of them.
Blocpdb> At least, 25 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> 2409726 matrix lines read.
Prepmat> Matrix order = 21681
Prepmat> Matrix trace = 5258920.0000
Prepmat> Last element read: 21681 21681 122.3589
Prepmat> 17206 lines saved.
Prepmat> 15935 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: 7227
RTB> Total mass = 7227.0000
RTB> Number of atoms found in matrix: 7227
RTB> Number of blocks = 185
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 175030.1176
RTB> 42945 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 = 1110
Diagstd> Nb of non-zero elements: 42945
Diagstd> Projected matrix trace = 175030.1176
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1110 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 175030.1176
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 0.0047794 0.0137588 0.0225415 0.0346328
0.0496816 0.0601160 0.0673956 0.1011755 0.1286684
0.1522879 0.1897057 0.2117382 0.2604708 0.3582156
0.3768314 0.4236590 0.4826324 0.5081728 0.5885961
0.6721283 0.7165588 0.7987700 0.8518633 0.8747291
0.9128101 0.9958991 1.1122736 1.1861171 1.3459180
1.3468982 1.4660672 1.5058160 1.6600797 1.7788734
1.8527634 2.0135185 2.0327206 2.1567916 2.2561869
2.4255354 2.4915631 2.5115421 2.5828914 3.0059853
3.1508656 3.3306797 3.6065170 3.6848678 3.8932967
4.0645843 4.1837991 4.2025823 4.3622060 4.4300135
4.5600900 4.7899488 4.8697715 5.1574038 5.2943638
5.7021542 5.8176943 5.8903655 6.1778593 6.4448908
6.6395661 6.7360894 6.8593851 7.2363884 7.3554620
7.3810107 7.5860992 7.7373466 7.8969096 8.0435879
8.2580216 8.4868606 8.6428245 8.8965707 8.9859401
9.1069666 9.3805067 9.5250156 9.6886047 9.8403104
9.8669700 10.2605319 10.5196843 10.5732763 11.1649916
11.2914349 11.3849872 11.6456820 11.7181295 12.0650495
12.5906126 12.8435016 12.9563349 13.1860665 13.5369728
13.7273149
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034331 0.0034335 0.0034339 0.0034340
0.0034348 7.5072599 12.7375579 16.3037278 20.2087271
24.2043185 26.6250353 28.1910416 34.5408453 38.9521349
42.3767765 47.2972005 49.9683348 55.4210555 64.9931451
66.6605418 70.6811285 75.4403200 77.4107018 83.3113086
89.0269266 91.9223681 97.0523706 100.2259631 101.5621937
103.7493765 108.3684733 114.5252103 118.2657711 125.9808624
126.0267319 131.4837897 133.2543011 139.9135413 144.8330911
147.8104906 154.0895165 154.8225159 159.4774833 163.1108380
169.1216053 171.4080549 172.0939122 174.5212659 188.2732865
192.7570280 198.1808643 206.2240300 208.4520810 214.2663789
218.9290280 222.1164325 222.6144728 226.8027757 228.5587244
231.8899815 237.6625303 239.6346256 246.6100933 249.8631267
259.3073092 261.9212454 263.5520518 269.9070861 275.6786053
279.8112229 281.8377756 284.4054236 292.1165850 294.5101432
295.0211816 299.0918217 302.0586706 305.1573700 307.9783484
312.0565391 316.3507101 319.2442821 323.8967558 325.5195228
327.7043088 332.5894191 335.1414370 338.0071582 340.6431651
341.1042924 347.8405564 352.2059054 353.1019136 362.8477887
364.8966268 366.4051363 370.5763876 371.7272734 377.1897090
385.3174794 389.1678920 390.8736225 394.3237276 399.5361294
402.3352453
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7227
Rtb_to_modes> Number of blocs = 185
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: 9.9949E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.7794E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.3759E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.2542E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.4633E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.9682E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.0116E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.7396E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1012
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1287
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.1523
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.1897
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.2117
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.2605
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.3582
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.3768
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.4237
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.4826
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.5082
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.5886
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.6721
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.7166
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.7988
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.8519
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.8747
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.9128
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.9959
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.112
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.186
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.346
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.347
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.466
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.506
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.660
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.779
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.853
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.014
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.033
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.157
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.256
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.426
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 2.492
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 2.512
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 2.583
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.006
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.151
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 3.331
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 3.607
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 3.685
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.893
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.065
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.184
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.203
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.362
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.430
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4.560
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4.790
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.870
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.157
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.294
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.702
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.818
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.890
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.178
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.445
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 6.640
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.736
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.859
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 7.236
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 7.355
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.381
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 7.586
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 7.737
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 7.897
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 8.044
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 8.258
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 8.487
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 8.643
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 8.897
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 8.986
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 9.107
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 9.381
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 9.525
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 9.689
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 9.840
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 9.867
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 10.57
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 11.16
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 11.29
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 11.72
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 12.07
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 12.84
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 12.96
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 13.54
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 13.73
Rtb_to_modes> 106 vectors, with 1110 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 1.00003 1.00001 1.00001 1.00002
1.00000 1.00001 1.00000 0.99997 0.99998
0.99999 1.00001 0.99998 1.00001 1.00000
1.00001 0.99998 0.99998 1.00001 0.99999
0.99995 1.00001 0.99999 1.00000 0.99994
1.00005 0.99996 1.00001 0.99998 0.99997
0.99997 0.99999 1.00000 0.99996 0.99998
0.99999 1.00001 1.00003 1.00000 0.99999
1.00002 0.99998 0.99999 1.00000 0.99998
1.00002 1.00003 1.00001 1.00000 1.00003
1.00002 0.99999 0.99997 1.00003 0.99999
0.99994 1.00002 1.00000 0.99999 0.99998
0.99999 1.00001 0.99998 1.00000 0.99997
1.00001 1.00001 0.99999 1.00002 1.00000
0.99998 0.99999 0.99998 0.99997 0.99998
1.00001 1.00000 1.00002 0.99996 0.99994
1.00003 0.99997 1.00000 0.99999 0.99999
1.00003 1.00000 1.00000 1.00001 1.00001
0.99998 1.00000 1.00000 0.99998 0.99998
0.99999 0.99999 1.00001 0.99999 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 130086 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 1.00003 1.00001 1.00001 1.00002
1.00000 1.00001 1.00000 0.99997 0.99998
0.99999 1.00001 0.99998 1.00001 1.00000
1.00001 0.99998 0.99998 1.00001 0.99999
0.99995 1.00001 0.99999 1.00000 0.99994
1.00005 0.99996 1.00001 0.99998 0.99997
0.99997 0.99999 1.00000 0.99996 0.99998
0.99999 1.00001 1.00003 1.00000 0.99999
1.00002 0.99998 0.99999 1.00000 0.99998
1.00002 1.00003 1.00001 1.00000 1.00003
1.00002 0.99999 0.99997 1.00003 0.99999
0.99994 1.00002 1.00000 0.99999 0.99998
0.99999 1.00001 0.99998 1.00000 0.99997
1.00001 1.00001 0.99999 1.00002 1.00000
0.99998 0.99999 0.99998 0.99997 0.99998
1.00001 1.00000 1.00002 0.99996 0.99994
1.00003 0.99997 1.00000 0.99999 0.99999
1.00003 1.00000 1.00000 1.00001 1.00001
0.99998 1.00000 1.00000 0.99998 0.99998
0.99999 0.99999 1.00001 0.99999 0.99998
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000-0.000-0.000
Vector 6:-0.000 0.000-0.000 0.000-0.000
Vector 7: 0.000 0.000-0.000 0.000-0.000 0.000
Vector 8: 0.000-0.000-0.000 0.000-0.000-0.000 0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000 0.000-0.000-0.000
Vector 10: 0.000-0.000-0.000 0.000-0.000 0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401150636221121779.eigenfacs
Openam> file on opening on unit 10:
2401150636221121779.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401150636221121779.atom
Openam> file on opening on unit 11:
2401150636221121779.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 = 924
First residue number = 1
Last residue number = 375
Number of atoms found = 7227
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: 9.9949E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7794E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3759E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.2542E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4633E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9682E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.0116E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7396E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2117
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 3.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 3.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 3.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4.560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4.790
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 6.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 7.236
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 7.355
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 7.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 7.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 7.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 8.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 8.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 8.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 8.643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 8.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 8.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 9.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.381
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 9.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 9.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 9.840
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 9.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 11.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 12.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 12.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 13.73
Bfactors> 106 vectors, 21681 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 : 0.004779
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 2401150636221121779 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=0
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=100
2401150636221121779.eigenfacs
2401150636221121779.atom
making animated gifs
11 models are in 2401150636221121779.7.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 2401150636221121779.7.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 2401150636221121779.7.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 2401150636221121779 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=0
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=100
2401150636221121779.eigenfacs
2401150636221121779.atom
making animated gifs
11 models are in 2401150636221121779.8.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 2401150636221121779.8.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 2401150636221121779.8.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 2401150636221121779 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=0
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=100
2401150636221121779.eigenfacs
2401150636221121779.atom
making animated gifs
11 models are in 2401150636221121779.9.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 2401150636221121779.9.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 2401150636221121779.9.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 2401150636221121779 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=0
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=100
2401150636221121779.eigenfacs
2401150636221121779.atom
making animated gifs
11 models are in 2401150636221121779.10.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 2401150636221121779.10.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 2401150636221121779.10.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 2401150636221121779 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=-20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=0
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=20
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=40
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=60
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=80
2401150636221121779.eigenfacs
2401150636221121779.atom
calculating perturbed structure for DQ=100
2401150636221121779.eigenfacs
2401150636221121779.atom
making animated gifs
11 models are in 2401150636221121779.11.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 2401150636221121779.11.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 2401150636221121779.11.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
2401150636221121779.10.pdb
2401150636221121779.11.pdb
2401150636221121779.7.pdb
2401150636221121779.8.pdb
2401150636221121779.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m35.772s
user 0m35.641s
sys 0m0.104s
../../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: 2401150636221121779.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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