*** TRANSFERASE 11-MAY-00 1E1Y ***
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 = 22120816580331046.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 22120816580331046.atom to be opened.
Openam> File opened: 22120816580331046.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 = 813
First residue number = 5
Last residue number = 838
Number of atoms found = 6617
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 27.338059 +/- 16.795107 From: -11.042000 To: 68.484000
= 20.672235 +/- 14.687844 From: -16.174000 To: 59.801000
= 31.897225 +/- 16.183727 From: -1.284000 To: 73.831000
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 1.3320 % Filled.
Pdbmat> 2624672 non-zero elements.
Pdbmat> 287265 atom-atom interactions.
Pdbmat> Number per atom= 86.83 +/- 22.30
Maximum number = 133
Minimum number = 13
Pdbmat> Matrix trace = 5.745300E+06
Pdbmat> Larger element = 492.555
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
813 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 = 22120816580331046.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 22120816580331046.atom to be opened.
Openam> file on opening on unit 11:
22120816580331046.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6617 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> 813 residues.
Blocpdb> 41 atoms in block 1
Block first atom: 1
Blocpdb> 43 atoms in block 2
Block first atom: 42
Blocpdb> 35 atoms in block 3
Block first atom: 85
Blocpdb> 35 atoms in block 4
Block first atom: 120
Blocpdb> 42 atoms in block 5
Block first atom: 155
Blocpdb> 48 atoms in block 6
Block first atom: 197
Blocpdb> 44 atoms in block 7
Block first atom: 245
Blocpdb> 43 atoms in block 8
Block first atom: 289
Blocpdb> 37 atoms in block 9
Block first atom: 332
Blocpdb> 48 atoms in block 10
Block first atom: 369
Blocpdb> 37 atoms in block 11
Block first atom: 417
Blocpdb> 44 atoms in block 12
Block first atom: 454
Blocpdb> 48 atoms in block 13
Block first atom: 498
Blocpdb> 47 atoms in block 14
Block first atom: 546
Blocpdb> 45 atoms in block 15
Block first atom: 593
Blocpdb> 52 atoms in block 16
Block first atom: 638
Blocpdb> 42 atoms in block 17
Block first atom: 690
Blocpdb> 42 atoms in block 18
Block first atom: 732
Blocpdb> 40 atoms in block 19
Block first atom: 774
Blocpdb> 36 atoms in block 20
Block first atom: 814
Blocpdb> 36 atoms in block 21
Block first atom: 850
Blocpdb> 42 atoms in block 22
Block first atom: 886
Blocpdb> 36 atoms in block 23
Block first atom: 928
Blocpdb> 44 atoms in block 24
Block first atom: 964
Blocpdb> 39 atoms in block 25
Block first atom: 1008
Blocpdb> 28 atoms in block 26
Block first atom: 1047
Blocpdb> 35 atoms in block 27
Block first atom: 1075
Blocpdb> 35 atoms in block 28
Block first atom: 1110
Blocpdb> 34 atoms in block 29
Block first atom: 1145
Blocpdb> 30 atoms in block 30
Block first atom: 1179
Blocpdb> 40 atoms in block 31
Block first atom: 1209
Blocpdb> 47 atoms in block 32
Block first atom: 1249
Blocpdb> 45 atoms in block 33
Block first atom: 1296
Blocpdb> 36 atoms in block 34
Block first atom: 1341
Blocpdb> 40 atoms in block 35
Block first atom: 1377
Blocpdb> 49 atoms in block 36
Block first atom: 1417
Blocpdb> 45 atoms in block 37
Block first atom: 1466
Blocpdb> 41 atoms in block 38
Block first atom: 1511
Blocpdb> 42 atoms in block 39
Block first atom: 1552
Blocpdb> 44 atoms in block 40
Block first atom: 1594
Blocpdb> 44 atoms in block 41
Block first atom: 1638
Blocpdb> 33 atoms in block 42
Block first atom: 1682
Blocpdb> 45 atoms in block 43
Block first atom: 1715
Blocpdb> 35 atoms in block 44
Block first atom: 1760
Blocpdb> 41 atoms in block 45
Block first atom: 1795
Blocpdb> 41 atoms in block 46
Block first atom: 1836
Blocpdb> 38 atoms in block 47
Block first atom: 1877
Blocpdb> 48 atoms in block 48
Block first atom: 1915
Blocpdb> 32 atoms in block 49
Block first atom: 1963
Blocpdb> 8 atoms in block 50
Block first atom: 1995
Blocpdb> 38 atoms in block 51
Block first atom: 2003
Blocpdb> 42 atoms in block 52
Block first atom: 2041
Blocpdb> 38 atoms in block 53
Block first atom: 2083
Blocpdb> 44 atoms in block 54
Block first atom: 2121
Blocpdb> 42 atoms in block 55
Block first atom: 2165
Blocpdb> 42 atoms in block 56
Block first atom: 2207
Blocpdb> 45 atoms in block 57
Block first atom: 2249
Blocpdb> 46 atoms in block 58
Block first atom: 2294
Blocpdb> 34 atoms in block 59
Block first atom: 2340
Blocpdb> 46 atoms in block 60
Block first atom: 2374
Blocpdb> 26 atoms in block 61
Block first atom: 2420
Blocpdb> 43 atoms in block 62
Block first atom: 2446
Blocpdb> 36 atoms in block 63
Block first atom: 2489
Blocpdb> 41 atoms in block 64
Block first atom: 2525
Blocpdb> 38 atoms in block 65
Block first atom: 2566
Blocpdb> 37 atoms in block 66
Block first atom: 2604
Blocpdb> 41 atoms in block 67
Block first atom: 2641
Blocpdb> 44 atoms in block 68
Block first atom: 2682
Blocpdb> 44 atoms in block 69
Block first atom: 2726
Blocpdb> 44 atoms in block 70
Block first atom: 2770
Blocpdb> 39 atoms in block 71
Block first atom: 2814
Blocpdb> 39 atoms in block 72
Block first atom: 2853
Blocpdb> 37 atoms in block 73
Block first atom: 2892
Blocpdb> 48 atoms in block 74
Block first atom: 2929
Blocpdb> 42 atoms in block 75
Block first atom: 2977
Blocpdb> 44 atoms in block 76
Block first atom: 3019
Blocpdb> 45 atoms in block 77
Block first atom: 3063
Blocpdb> 45 atoms in block 78
Block first atom: 3108
Blocpdb> 45 atoms in block 79
Block first atom: 3153
Blocpdb> 33 atoms in block 80
Block first atom: 3198
Blocpdb> 38 atoms in block 81
Block first atom: 3231
Blocpdb> 44 atoms in block 82
Block first atom: 3269
Blocpdb> 37 atoms in block 83
Block first atom: 3313
Blocpdb> 40 atoms in block 84
Block first atom: 3350
Blocpdb> 39 atoms in block 85
Block first atom: 3390
Blocpdb> 29 atoms in block 86
Block first atom: 3429
Blocpdb> 34 atoms in block 87
Block first atom: 3458
Blocpdb> 41 atoms in block 88
Block first atom: 3492
Blocpdb> 40 atoms in block 89
Block first atom: 3533
Blocpdb> 44 atoms in block 90
Block first atom: 3573
Blocpdb> 48 atoms in block 91
Block first atom: 3617
Blocpdb> 46 atoms in block 92
Block first atom: 3665
Blocpdb> 41 atoms in block 93
Block first atom: 3711
Blocpdb> 37 atoms in block 94
Block first atom: 3752
Blocpdb> 48 atoms in block 95
Block first atom: 3789
Blocpdb> 33 atoms in block 96
Block first atom: 3837
Blocpdb> 35 atoms in block 97
Block first atom: 3870
Blocpdb> 41 atoms in block 98
Block first atom: 3905
Blocpdb> 43 atoms in block 99
Block first atom: 3946
Blocpdb> 44 atoms in block 100
Block first atom: 3989
Blocpdb> 43 atoms in block 101
Block first atom: 4033
Blocpdb> 37 atoms in block 102
Block first atom: 4076
Blocpdb> 45 atoms in block 103
Block first atom: 4113
Blocpdb> 39 atoms in block 104
Block first atom: 4158
Blocpdb> 43 atoms in block 105
Block first atom: 4197
Blocpdb> 41 atoms in block 106
Block first atom: 4240
Blocpdb> 50 atoms in block 107
Block first atom: 4281
Blocpdb> 40 atoms in block 108
Block first atom: 4331
Blocpdb> 41 atoms in block 109
Block first atom: 4371
Blocpdb> 43 atoms in block 110
Block first atom: 4412
Blocpdb> 48 atoms in block 111
Block first atom: 4455
Blocpdb> 44 atoms in block 112
Block first atom: 4503
Blocpdb> 39 atoms in block 113
Block first atom: 4547
Blocpdb> 46 atoms in block 114
Block first atom: 4586
Blocpdb> 42 atoms in block 115
Block first atom: 4632
Blocpdb> 42 atoms in block 116
Block first atom: 4674
Blocpdb> 40 atoms in block 117
Block first atom: 4716
Blocpdb> 30 atoms in block 118
Block first atom: 4756
Blocpdb> 38 atoms in block 119
Block first atom: 4786
Blocpdb> 38 atoms in block 120
Block first atom: 4824
Blocpdb> 40 atoms in block 121
Block first atom: 4862
Blocpdb> 32 atoms in block 122
Block first atom: 4902
Blocpdb> 40 atoms in block 123
Block first atom: 4934
Blocpdb> 37 atoms in block 124
Block first atom: 4974
Blocpdb> 45 atoms in block 125
Block first atom: 5011
Blocpdb> 48 atoms in block 126
Block first atom: 5056
Blocpdb> 35 atoms in block 127
Block first atom: 5104
Blocpdb> 36 atoms in block 128
Block first atom: 5139
Blocpdb> 36 atoms in block 129
Block first atom: 5175
Blocpdb> 35 atoms in block 130
Block first atom: 5211
Blocpdb> 31 atoms in block 131
Block first atom: 5246
Blocpdb> 31 atoms in block 132
Block first atom: 5277
Blocpdb> 44 atoms in block 133
Block first atom: 5308
Blocpdb> 32 atoms in block 134
Block first atom: 5352
Blocpdb> 31 atoms in block 135
Block first atom: 5384
Blocpdb> 37 atoms in block 136
Block first atom: 5415
Blocpdb> 32 atoms in block 137
Block first atom: 5452
Blocpdb> 48 atoms in block 138
Block first atom: 5484
Blocpdb> 42 atoms in block 139
Block first atom: 5532
Blocpdb> 39 atoms in block 140
Block first atom: 5574
Blocpdb> 47 atoms in block 141
Block first atom: 5613
Blocpdb> 38 atoms in block 142
Block first atom: 5660
Blocpdb> 52 atoms in block 143
Block first atom: 5698
Blocpdb> 43 atoms in block 144
Block first atom: 5750
Blocpdb> 43 atoms in block 145
Block first atom: 5793
Blocpdb> 35 atoms in block 146
Block first atom: 5836
Blocpdb> 42 atoms in block 147
Block first atom: 5871
Blocpdb> 43 atoms in block 148
Block first atom: 5913
Blocpdb> 39 atoms in block 149
Block first atom: 5956
Blocpdb> 44 atoms in block 150
Block first atom: 5995
Blocpdb> 49 atoms in block 151
Block first atom: 6039
Blocpdb> 43 atoms in block 152
Block first atom: 6088
Blocpdb> 43 atoms in block 153
Block first atom: 6131
Blocpdb> 38 atoms in block 154
Block first atom: 6174
Blocpdb> 44 atoms in block 155
Block first atom: 6212
Blocpdb> 52 atoms in block 156
Block first atom: 6256
Blocpdb> 42 atoms in block 157
Block first atom: 6308
Blocpdb> 30 atoms in block 158
Block first atom: 6350
Blocpdb> 40 atoms in block 159
Block first atom: 6380
Blocpdb> 40 atoms in block 160
Block first atom: 6420
Blocpdb> 45 atoms in block 161
Block first atom: 6460
Blocpdb> 41 atoms in block 162
Block first atom: 6505
Blocpdb> 45 atoms in block 163
Block first atom: 6546
Blocpdb> 27 atoms in block 164
Block first atom: 6590
Blocpdb> 164 blocks.
Blocpdb> At most, 52 atoms in each of them.
Blocpdb> At least, 8 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> 2624836 matrix lines read.
Prepmat> Matrix order = 19851
Prepmat> Matrix trace = 5745300.0000
Prepmat> Last element read: 19851 19851 151.9541
Prepmat> 13531 lines saved.
Prepmat> 11942 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: 6617
RTB> Total mass = 6617.0000
RTB> Number of atoms found in matrix: 6617
RTB> Number of blocks = 164
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 199724.7981
RTB> 54708 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 = 984
Diagstd> Nb of non-zero elements: 54708
Diagstd> Projected matrix trace = 199724.7981
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 984 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 199724.7981
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 0.1441232 0.5724020 1.2753583 1.6524952
1.9106360 1.9823722 2.4293414 2.8003343 3.3736091
3.8569408 4.4401717 6.1868668 6.5921366 7.1008240
7.7205072 8.1415120 8.4952586 8.8510841 8.9843657
9.4089362 10.0143808 10.1196725 10.9164423 11.5528352
12.3722372 13.0853600 13.7946433 13.9741788 14.1799252
15.2955213 15.3432598 15.5536248 16.4707050 17.0202666
17.5045629 18.1622402 18.4872818 18.9542249 20.1904875
20.2459488 20.8061946 21.2388890 22.0614951 22.2755011
23.1177962 23.3629470 23.7773714 23.9820857 24.9747947
25.4015343 25.5899241 26.5080521 26.6560944 27.4414988
27.7391142 27.8216370 28.6485032 29.2948110 30.1349711
31.4360451 31.5751137 31.7723566 32.3547887 32.6770072
33.8326556 34.2459562 34.3977270 34.5818753 35.2173504
36.2749947 36.5497487 37.1644445 37.5933859 38.5428565
38.8432958 39.7975041 40.1308339 40.8900934 41.2799232
41.3931210 42.0332423 42.5684954 42.6270936 43.4717146
44.0544141 45.3337888 45.8524690 46.2611322 46.6459295
47.1130694 48.0872709 48.7196584 49.0066556 49.1171159
49.7028732 50.0645311 50.4436817 51.4632445 51.6701136
51.8805312
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034332 0.0034335 0.0034336 0.0034341
0.0034350 41.2251443 82.1572443 122.6341411 139.5935606
150.1012311 152.8930985 169.2542405 181.7189522 199.4539596
213.2636150 228.8206225 270.1037817 278.8100220 289.3674348
301.7297944 309.8473706 316.5071917 323.0676810 325.4910038
333.0930285 343.6428658 345.4446795 358.7862924 369.0961954
381.9613318 392.8150500 403.3207048 405.9368046 408.9142541
424.6952682 425.3575050 428.2635276 440.7084466 448.0004596
454.3294774 462.7857610 466.9085332 472.7682422 487.9425407
488.6122464 495.3265514 500.4505577 510.0499993 512.5178811
522.1177958 524.8788729 529.5136998 531.7882729 542.6830337
547.2997564 549.3255245 559.0931716 560.6522109 568.8518753
571.9282843 572.7783842 581.2276264 587.7472829 596.1158509
608.8484881 610.1937318 612.0966380 617.6814572 620.7495555
631.6308366 635.4771349 636.8837282 638.5862312 644.4268388
654.0319419 656.5041532 662.0016975 665.8110545 674.1665953
676.7890389 685.0514636 687.9143551 694.3913966 697.6935700
698.6495228 704.0309083 708.4993076 708.9867872 715.9763305
720.7588692 731.1496705 735.3204485 738.5899759 741.6553876
745.3598241 753.0266480 757.9619382 760.1911563 761.0474044
765.5719760 768.3522313 771.2562006 779.0114871 780.5756302
782.1633948
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6617
Rtb_to_modes> Number of blocs = 164
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: 9.9951E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9954E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1441
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.5724
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.275
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.652
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.911
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.982
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.429
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.800
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.374
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.857
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.440
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.187
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.592
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.101
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.721
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.142
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.495
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 8.851
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.984
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 9.409
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.01
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.12
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 10.92
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 11.55
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 13.09
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 13.97
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 14.18
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 15.30
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 15.34
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 15.55
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 16.47
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 17.02
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 17.50
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 18.16
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.49
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 18.95
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 20.19
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 20.25
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 20.81
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 22.06
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 22.28
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 23.12
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 23.36
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 23.78
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 23.98
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 24.97
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 25.40
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 25.59
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 26.51
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 26.66
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 27.44
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 27.74
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 27.82
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 28.65
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 29.29
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 30.13
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 31.44
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 31.58
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 31.77
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 32.35
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 32.68
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 33.83
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 34.25
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 34.40
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 35.22
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 36.27
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 36.55
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 37.16
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 37.59
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 38.54
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 38.84
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 39.80
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 40.13
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 40.89
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 41.39
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 42.03
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 42.57
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 42.63
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 43.47
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 44.05
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 45.33
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 45.85
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 46.26
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 46.65
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 47.11
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 48.09
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 48.72
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 49.01
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 49.12
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 49.70
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 50.06
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 50.44
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 51.46
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 51.67
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 51.88
Rtb_to_modes> 106 vectors, with 984 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00001 1.00001 1.00000
1.00001 1.00002 1.00007 1.00003 1.00001
1.00000 1.00002 0.99999 1.00000 1.00001
1.00002 0.99997 0.99999 1.00000 1.00000
1.00000 1.00000 1.00000 1.00001 1.00003
1.00002 0.99998 1.00002 1.00003 1.00001
0.99997 1.00000 0.99999 0.99997 0.99999
1.00003 1.00001 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 1.00000 0.99997
1.00000 0.99998 1.00001 1.00002 1.00004
1.00000 1.00002 1.00001 1.00000 0.99997
1.00001 1.00000 1.00000 1.00003 0.99999
1.00001 1.00001 1.00002 0.99998 1.00002
1.00002 1.00000 1.00001 0.99999 1.00001
0.99999 0.99999 0.99998 1.00000 1.00001
1.00000 0.99999 0.99999 0.99998 1.00002
1.00000 1.00002 1.00000 1.00001 1.00001
0.99998 1.00000 0.99998 1.00000 1.00000
0.99997 1.00000 0.99997 1.00000 0.99999
0.99998 0.99999 1.00001 1.00001 0.99999
1.00001 1.00001 1.00000 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 119106 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00001 1.00001 1.00000
1.00001 1.00002 1.00007 1.00003 1.00001
1.00000 1.00002 0.99999 1.00000 1.00001
1.00002 0.99997 0.99999 1.00000 1.00000
1.00000 1.00000 1.00000 1.00001 1.00003
1.00002 0.99998 1.00002 1.00003 1.00001
0.99997 1.00000 0.99999 0.99997 0.99999
1.00003 1.00001 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 1.00000 0.99997
1.00000 0.99998 1.00001 1.00002 1.00004
1.00000 1.00002 1.00001 1.00000 0.99997
1.00001 1.00000 1.00000 1.00003 0.99999
1.00001 1.00001 1.00002 0.99998 1.00002
1.00002 1.00000 1.00001 0.99999 1.00001
0.99999 0.99999 0.99998 1.00000 1.00001
1.00000 0.99999 0.99999 0.99998 1.00002
1.00000 1.00002 1.00000 1.00001 1.00001
0.99998 1.00000 0.99998 1.00000 1.00000
0.99997 1.00000 0.99997 1.00000 0.99999
0.99998 0.99999 1.00001 1.00001 0.99999
1.00001 1.00001 1.00000 1.00000 0.99999
1.00000
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> 22120816580331046.eigenfacs
Openam> file on opening on unit 10:
22120816580331046.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 22120816580331046.atom
Openam> file on opening on unit 11:
22120816580331046.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 = 813
First residue number = 5
Last residue number = 838
Number of atoms found = 6617
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9951E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
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: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 8.851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 9.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 10.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 13.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 14.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 15.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 17.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 17.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 20.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 20.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 22.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 22.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 23.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 23.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 23.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 23.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 24.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 25.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 25.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 26.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 26.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 27.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 27.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 27.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 29.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 30.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 31.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 31.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 31.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 32.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 32.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 33.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 34.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 34.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 35.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 36.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 36.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 37.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 37.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 38.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 38.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 39.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 40.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 40.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 41.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 42.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 42.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 42.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 43.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 44.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 45.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 45.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 46.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 46.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 47.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 48.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 48.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 49.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 49.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 49.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 50.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 50.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 51.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 51.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 51.88
Bfactors> 106 vectors, 19851 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 : 0.144100
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.137 for 813 C-alpha atoms.
Bfactors> = 0.035 +/- 0.20
Bfactors> = 19.823 +/- 9.91
Bfactors> Shiftng-fct= 19.788
Bfactors> Scaling-fct= 50.447
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 22120816580331046.eigenfacs
Openam> file on opening on unit 10:
22120816580331046.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4348E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 41.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 82.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 122.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 139.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 150.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 152.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 169.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 181.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 199.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 213.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 228.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 270.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 278.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 289.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 301.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 309.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 316.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 323.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 325.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 333.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 343.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 345.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 358.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 369.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 381.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 392.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 403.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 405.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 408.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 424.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 425.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 428.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 440.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 448.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 454.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 462.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 466.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 472.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 487.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 488.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 495.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 500.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 510.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 512.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 522.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 524.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 529.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 531.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 542.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 547.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 549.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 559.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 560.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 568.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 571.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 572.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 581.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 587.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 596.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 608.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 610.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 612.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 617.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 620.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 631.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 635.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 636.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 638.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 644.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 654.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 656.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 661.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 665.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 674.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 676.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 685.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 687.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 694.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 697.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 698.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 704.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 708.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 709.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 715.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 720.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 731.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 735.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 738.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 741.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 745.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 753.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 757.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 760.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 761.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 765.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 768.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 771.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 779.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 780.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 782.1
Chkmod> 106 vectors, 19851 coordinates in file.
Chkmod> That is: 6617 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 8 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 25 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.8433
0.0034 0.8100
0.0034 0.7273
0.0034 0.8461
0.0034 0.7886
0.0034 0.7159
41.2201 0.0156
82.1536 0.0139
122.6116 0.0178
139.5667 0.0114
150.1091 0.4552
152.8722 0.1119
169.2351 0.2982
181.7003 0.4981
199.4570 0.2662
213.2561 0.5512
228.8064 0.2035
270.0951 0.4548
278.7952 0.0103
289.3586 0.1033
301.7265 0.4919
309.8434 0.4955
316.4888 0.5141
323.0523 0.2010
325.4704 0.0540
333.0799 0.4312
343.5529 0.4005
345.4354 0.2475
358.8293 0.4701
369.0351 0.3972
381.9104 0.4277
392.8678 0.5089
403.2355 0.5423
405.8587 0.3608
408.8978 0.1702
424.7392 0.2124
425.2941 0.2818
428.1952 0.1530
440.6801 0.5153
447.9777 0.4002
454.2508 0.3002
462.7374 0.4069
466.9228 0.3377
472.6953 0.4972
487.9157 0.3880
488.6402 0.2990
495.3506 0.2554
500.4422 0.3274
510.0108 0.3339
512.5476 0.3276
522.1203 0.4341
524.8232 0.0482
529.5202 0.2422
531.7423 0.4961
542.6076 0.1715
547.2597 0.3552
549.3028 0.2940
559.0897 0.3127
560.6692 0.2865
568.8119 0.5709
571.9129 0.5444
572.7369 0.4355
581.2179 0.4110
587.6738 0.5155
596.0411 0.3379
608.8606 0.5416
610.2147 0.5115
612.0477 0.5207
617.6092 0.4764
620.7513 0.5017
631.5789 0.5431
635.4874 0.5145
636.8774 0.4277
638.5415 0.4470
644.4234 0.5453
653.9588 0.5034
656.4782 0.5556
661.9337 0.5549
665.7525 0.3268
674.1127 0.2396
676.7313 0.4585
685.0435 0.5106
687.8777 0.5231
694.3608 0.5015
697.6643 0.6109
698.5932 0.4894
703.9735 0.4420
708.4814 0.5862
708.9805 0.6422
715.9315 0.6217
720.6918 0.4643
731.0877 0.5857
735.2691 0.3830
738.5492 0.4262
741.6559 0.3309
745.3035 0.4858
753.0157 0.5709
757.9321 0.5405
760.1845 0.5436
761.0371 0.5589
765.5170 0.5354
768.2845 0.5182
771.1949 0.2481
778.9535 0.5435
780.5413 0.4823
782.1258 0.5605
getting mode 7
running: ../../bin/get_modes.sh 22120816580331046 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.7.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 22120816580331046.7.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 22120816580331046.7.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 22120816580331046 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.8.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 22120816580331046.8.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 22120816580331046.8.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 22120816580331046 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.9.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 22120816580331046.9.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 22120816580331046.9.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 22120816580331046 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.10.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 22120816580331046.10.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 22120816580331046.10.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 22120816580331046 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.11.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 22120816580331046.11.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 22120816580331046.11.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
getting mode 12
running: ../../bin/get_modes.sh 22120816580331046 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.12.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 22120816580331046.12.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 22120816580331046.12.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 13
running: ../../bin/get_modes.sh 22120816580331046 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.13.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 22120816580331046.13.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 22120816580331046.13.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 14
running: ../../bin/get_modes.sh 22120816580331046 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.14.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 22120816580331046.14.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 22120816580331046.14.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 15
running: ../../bin/get_modes.sh 22120816580331046 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.15.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 22120816580331046.15.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 22120816580331046.15.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 16
running: ../../bin/get_modes.sh 22120816580331046 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.16.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 22120816580331046.16.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 22120816580331046.16.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 17
running: ../../bin/get_modes.sh 22120816580331046 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.17.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 22120816580331046.17.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 22120816580331046.17.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 18
running: ../../bin/get_modes.sh 22120816580331046 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.18.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 22120816580331046.18.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 22120816580331046.18.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 19
running: ../../bin/get_modes.sh 22120816580331046 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.19.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 22120816580331046.19.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 22120816580331046.19.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 20
running: ../../bin/get_modes.sh 22120816580331046 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.20.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 22120816580331046.20.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 22120816580331046.20.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 21
running: ../../bin/get_modes.sh 22120816580331046 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.21.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 22120816580331046.21.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 22120816580331046.21.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 22
running: ../../bin/get_modes.sh 22120816580331046 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.22.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 22120816580331046.22.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 22120816580331046.22.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 23
running: ../../bin/get_modes.sh 22120816580331046 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.23.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 22120816580331046.23.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 22120816580331046.23.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 24
running: ../../bin/get_modes.sh 22120816580331046 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.24.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 22120816580331046.24.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 22120816580331046.24.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 25
running: ../../bin/get_modes.sh 22120816580331046 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.25.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 22120816580331046.25.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 22120816580331046.25.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 26
running: ../../bin/get_modes.sh 22120816580331046 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.26.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 22120816580331046.26.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 22120816580331046.26.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 27
running: ../../bin/get_modes.sh 22120816580331046 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.27.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 22120816580331046.27.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 22120816580331046.27.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 28
running: ../../bin/get_modes.sh 22120816580331046 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.28.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 22120816580331046.28.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 22120816580331046.28.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 29
running: ../../bin/get_modes.sh 22120816580331046 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.29.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 22120816580331046.29.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 22120816580331046.29.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 30
running: ../../bin/get_modes.sh 22120816580331046 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.30.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 22120816580331046.30.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 22120816580331046.30.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 31
running: ../../bin/get_modes.sh 22120816580331046 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=-20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=0
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=20
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=40
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=60
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=80
22120816580331046.eigenfacs
22120816580331046.atom
calculating perturbed structure for DQ=100
22120816580331046.eigenfacs
22120816580331046.atom
making animated gifs
11 models are in 22120816580331046.31.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 22120816580331046.31.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 22120816580331046.31.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
22120816580331046.10.pdb
22120816580331046.11.pdb
22120816580331046.12.pdb
22120816580331046.13.pdb
22120816580331046.14.pdb
22120816580331046.15.pdb
22120816580331046.16.pdb
22120816580331046.17.pdb
22120816580331046.18.pdb
22120816580331046.19.pdb
22120816580331046.20.pdb
22120816580331046.21.pdb
22120816580331046.22.pdb
22120816580331046.23.pdb
22120816580331046.24.pdb
22120816580331046.25.pdb
22120816580331046.26.pdb
22120816580331046.27.pdb
22120816580331046.28.pdb
22120816580331046.29.pdb
22120816580331046.30.pdb
22120816580331046.31.pdb
22120816580331046.7.pdb
22120816580331046.8.pdb
22120816580331046.9.pdb
STDERR:
real 0m23.773s
user 0m23.644s
sys 0m0.076s
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.
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