***  TERT-TPP1-7TRE  ***
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 = 240113202932974388.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 240113202932974388.atom to be opened.
Openam> File opened: 240113202932974388.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 = 1086
First residue number = 7
Last residue number = 241
Number of atoms found = 8659
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 144.574123 +/- 25.298675 From: 81.548000 To: 201.545000
= 145.648677 +/- 20.657636 From: 101.929000 To: 190.234000
= 130.641036 +/- 16.150549 From: 93.285000 To: 171.719000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.8843 % Filled.
Pdbmat> 2983874 non-zero elements.
Pdbmat> 325825 atom-atom interactions.
Pdbmat> Number per atom= 75.26 +/- 21.18
Maximum number = 124
Minimum number = 9
Pdbmat> Matrix trace = 6.516500E+06
Pdbmat> Larger element = 489.641
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1086 non-zero elements, NRBL set to 6
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 240113202932974388.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 240113202932974388.atom to be opened.
Openam> file on opening on unit 11:
240113202932974388.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8659 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 6 residue(s) per block.
Blocpdb> 1086 residues.
Blocpdb> 46 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 47
Blocpdb> 50 atoms in block 3
Block first atom: 102
Blocpdb> 52 atoms in block 4
Block first atom: 152
Blocpdb> 46 atoms in block 5
Block first atom: 204
Blocpdb> 50 atoms in block 6
Block first atom: 250
Blocpdb> 47 atoms in block 7
Block first atom: 300
Blocpdb> 40 atoms in block 8
Block first atom: 347
Blocpdb> 49 atoms in block 9
Block first atom: 387
Blocpdb> 45 atoms in block 10
Block first atom: 436
Blocpdb> 45 atoms in block 11
Block first atom: 481
Blocpdb> 45 atoms in block 12
Block first atom: 526
Blocpdb> 47 atoms in block 13
Block first atom: 571
Blocpdb> 51 atoms in block 14
Block first atom: 618
Blocpdb> 44 atoms in block 15
Block first atom: 669
Blocpdb> 44 atoms in block 16
Block first atom: 713
Blocpdb> 16 atoms in block 17
Block first atom: 757
Blocpdb> 49 atoms in block 18
Block first atom: 773
Blocpdb> 44 atoms in block 19
Block first atom: 822
Blocpdb> 42 atoms in block 20
Block first atom: 866
Blocpdb> 43 atoms in block 21
Block first atom: 908
Blocpdb> 49 atoms in block 22
Block first atom: 951
Blocpdb> 48 atoms in block 23
Block first atom: 1000
Blocpdb> 43 atoms in block 24
Block first atom: 1048
Blocpdb> 45 atoms in block 25
Block first atom: 1091
Blocpdb> 45 atoms in block 26
Block first atom: 1136
Blocpdb> 44 atoms in block 27
Block first atom: 1181
Blocpdb> 17 atoms in block 28
Block first atom: 1225
Blocpdb> 47 atoms in block 29
Block first atom: 1242
Blocpdb> 57 atoms in block 30
Block first atom: 1289
Blocpdb> 42 atoms in block 31
Block first atom: 1346
Blocpdb> 52 atoms in block 32
Block first atom: 1388
Blocpdb> 47 atoms in block 33
Block first atom: 1440
Blocpdb> 37 atoms in block 34
Block first atom: 1487
Blocpdb> 53 atoms in block 35
Block first atom: 1524
Blocpdb> 48 atoms in block 36
Block first atom: 1577
Blocpdb> 47 atoms in block 37
Block first atom: 1625
Blocpdb> 55 atoms in block 38
Block first atom: 1672
Blocpdb> 61 atoms in block 39
Block first atom: 1727
Blocpdb> 54 atoms in block 40
Block first atom: 1788
Blocpdb> 45 atoms in block 41
Block first atom: 1842
Blocpdb> 49 atoms in block 42
Block first atom: 1887
Blocpdb> 43 atoms in block 43
Block first atom: 1936
Blocpdb> 42 atoms in block 44
Block first atom: 1979
Blocpdb> 52 atoms in block 45
Block first atom: 2021
Blocpdb> 55 atoms in block 46
Block first atom: 2073
Blocpdb> 49 atoms in block 47
Block first atom: 2128
Blocpdb> 50 atoms in block 48
Block first atom: 2177
Blocpdb> 51 atoms in block 49
Block first atom: 2227
Blocpdb> 44 atoms in block 50
Block first atom: 2278
Blocpdb> 55 atoms in block 51
Block first atom: 2322
Blocpdb> 56 atoms in block 52
Block first atom: 2377
Blocpdb> 51 atoms in block 53
Block first atom: 2433
Blocpdb> 45 atoms in block 54
Block first atom: 2484
Blocpdb> 47 atoms in block 55
Block first atom: 2529
Blocpdb> 55 atoms in block 56
Block first atom: 2576
Blocpdb> 52 atoms in block 57
Block first atom: 2631
Blocpdb> 39 atoms in block 58
Block first atom: 2683
Blocpdb> 39 atoms in block 59
Block first atom: 2722
Blocpdb> 58 atoms in block 60
Block first atom: 2761
Blocpdb> 49 atoms in block 61
Block first atom: 2819
Blocpdb> 53 atoms in block 62
Block first atom: 2868
Blocpdb> 51 atoms in block 63
Block first atom: 2921
Blocpdb> 58 atoms in block 64
Block first atom: 2972
Blocpdb> 50 atoms in block 65
Block first atom: 3030
Blocpdb> 58 atoms in block 66
Block first atom: 3080
Blocpdb> 59 atoms in block 67
Block first atom: 3138
Blocpdb> 46 atoms in block 68
Block first atom: 3197
Blocpdb> 50 atoms in block 69
Block first atom: 3243
Blocpdb> 55 atoms in block 70
Block first atom: 3293
Blocpdb> 46 atoms in block 71
Block first atom: 3348
Blocpdb> 57 atoms in block 72
Block first atom: 3394
Blocpdb> 44 atoms in block 73
Block first atom: 3451
Blocpdb> 54 atoms in block 74
Block first atom: 3495
Blocpdb> 43 atoms in block 75
Block first atom: 3549
Blocpdb> 49 atoms in block 76
Block first atom: 3592
Blocpdb> 42 atoms in block 77
Block first atom: 3641
Blocpdb> 46 atoms in block 78
Block first atom: 3683
Blocpdb> 51 atoms in block 79
Block first atom: 3729
Blocpdb> 50 atoms in block 80
Block first atom: 3780
Blocpdb> 49 atoms in block 81
Block first atom: 3830
Blocpdb> 38 atoms in block 82
Block first atom: 3879
Blocpdb> 44 atoms in block 83
Block first atom: 3917
Blocpdb> 58 atoms in block 84
Block first atom: 3961
Blocpdb> 55 atoms in block 85
Block first atom: 4019
Blocpdb> 43 atoms in block 86
Block first atom: 4074
Blocpdb> 56 atoms in block 87
Block first atom: 4117
Blocpdb> 38 atoms in block 88
Block first atom: 4173
Blocpdb> 51 atoms in block 89
Block first atom: 4211
Blocpdb> 50 atoms in block 90
Block first atom: 4262
Blocpdb> 44 atoms in block 91
Block first atom: 4312
Blocpdb> 49 atoms in block 92
Block first atom: 4356
Blocpdb> 53 atoms in block 93
Block first atom: 4405
Blocpdb> 45 atoms in block 94
Block first atom: 4458
Blocpdb> 46 atoms in block 95
Block first atom: 4503
Blocpdb> 49 atoms in block 96
Block first atom: 4549
Blocpdb> 47 atoms in block 97
Block first atom: 4598
Blocpdb> 58 atoms in block 98
Block first atom: 4645
Blocpdb> 48 atoms in block 99
Block first atom: 4703
Blocpdb> 47 atoms in block 100
Block first atom: 4751
Blocpdb> 45 atoms in block 101
Block first atom: 4798
Blocpdb> 43 atoms in block 102
Block first atom: 4843
Blocpdb> 40 atoms in block 103
Block first atom: 4886
Blocpdb> 56 atoms in block 104
Block first atom: 4926
Blocpdb> 46 atoms in block 105
Block first atom: 4982
Blocpdb> 49 atoms in block 106
Block first atom: 5028
Blocpdb> 47 atoms in block 107
Block first atom: 5077
Blocpdb> 42 atoms in block 108
Block first atom: 5124
Blocpdb> 43 atoms in block 109
Block first atom: 5166
Blocpdb> 44 atoms in block 110
Block first atom: 5209
Blocpdb> 53 atoms in block 111
Block first atom: 5253
Blocpdb> 47 atoms in block 112
Block first atom: 5306
Blocpdb> 47 atoms in block 113
Block first atom: 5353
Blocpdb> 50 atoms in block 114
Block first atom: 5400
Blocpdb> 46 atoms in block 115
Block first atom: 5450
Blocpdb> 50 atoms in block 116
Block first atom: 5496
Blocpdb> 48 atoms in block 117
Block first atom: 5546
Blocpdb> 45 atoms in block 118
Block first atom: 5594
Blocpdb> 50 atoms in block 119
Block first atom: 5639
Blocpdb> 47 atoms in block 120
Block first atom: 5689
Blocpdb> 46 atoms in block 121
Block first atom: 5736
Blocpdb> 38 atoms in block 122
Block first atom: 5782
Blocpdb> 43 atoms in block 123
Block first atom: 5820
Blocpdb> 50 atoms in block 124
Block first atom: 5863
Blocpdb> 50 atoms in block 125
Block first atom: 5913
Blocpdb> 46 atoms in block 126
Block first atom: 5963
Blocpdb> 49 atoms in block 127
Block first atom: 6009
Blocpdb> 48 atoms in block 128
Block first atom: 6058
Blocpdb> 51 atoms in block 129
Block first atom: 6106
Blocpdb> 44 atoms in block 130
Block first atom: 6157
Blocpdb> 55 atoms in block 131
Block first atom: 6201
Blocpdb> 49 atoms in block 132
Block first atom: 6256
Blocpdb> 50 atoms in block 133
Block first atom: 6305
Blocpdb> 48 atoms in block 134
Block first atom: 6355
Blocpdb> 43 atoms in block 135
Block first atom: 6403
Blocpdb> 52 atoms in block 136
Block first atom: 6446
Blocpdb> 50 atoms in block 137
Block first atom: 6498
Blocpdb> 50 atoms in block 138
Block first atom: 6548
Blocpdb> 53 atoms in block 139
Block first atom: 6598
Blocpdb> 56 atoms in block 140
Block first atom: 6651
Blocpdb> 55 atoms in block 141
Block first atom: 6707
Blocpdb> 41 atoms in block 142
Block first atom: 6762
Blocpdb> 46 atoms in block 143
Block first atom: 6803
Blocpdb> 44 atoms in block 144
Block first atom: 6849
Blocpdb> 35 atoms in block 145
Block first atom: 6893
Blocpdb> 34 atoms in block 146
Block first atom: 6928
Blocpdb> 42 atoms in block 147
Block first atom: 6962
Blocpdb> 56 atoms in block 148
Block first atom: 7004
Blocpdb> 49 atoms in block 149
Block first atom: 7060
Blocpdb> 53 atoms in block 150
Block first atom: 7109
Blocpdb> 46 atoms in block 151
Block first atom: 7162
Blocpdb> 46 atoms in block 152
Block first atom: 7208
Blocpdb> 50 atoms in block 153
Block first atom: 7254
Blocpdb> 41 atoms in block 154
Block first atom: 7304
Blocpdb> 39 atoms in block 155
Block first atom: 7345
Blocpdb> 40 atoms in block 156
Block first atom: 7384
Blocpdb> 49 atoms in block 157
Block first atom: 7424
Blocpdb> 16 atoms in block 158
Block first atom: 7473
Blocpdb> 44 atoms in block 159
Block first atom: 7489
Blocpdb> 60 atoms in block 160
Block first atom: 7533
Blocpdb> 43 atoms in block 161
Block first atom: 7593
Blocpdb> 44 atoms in block 162
Block first atom: 7636
Blocpdb> 43 atoms in block 163
Block first atom: 7680
Blocpdb> 46 atoms in block 164
Block first atom: 7723
Blocpdb> 33 atoms in block 165
Block first atom: 7769
Blocpdb> 43 atoms in block 166
Block first atom: 7802
Blocpdb> 37 atoms in block 167
Block first atom: 7845
Blocpdb> 41 atoms in block 168
Block first atom: 7882
Blocpdb> 47 atoms in block 169
Block first atom: 7923
Blocpdb> 47 atoms in block 170
Block first atom: 7970
Blocpdb> 51 atoms in block 171
Block first atom: 8017
Blocpdb> 51 atoms in block 172
Block first atom: 8068
Blocpdb> 46 atoms in block 173
Block first atom: 8119
Blocpdb> 52 atoms in block 174
Block first atom: 8165
Blocpdb> 42 atoms in block 175
Block first atom: 8217
Blocpdb> 38 atoms in block 176
Block first atom: 8259
Blocpdb> 49 atoms in block 177
Block first atom: 8297
Blocpdb> 54 atoms in block 178
Block first atom: 8346
Blocpdb> 45 atoms in block 179
Block first atom: 8400
Blocpdb> 53 atoms in block 180
Block first atom: 8445
Blocpdb> 42 atoms in block 181
Block first atom: 8498
Blocpdb> 50 atoms in block 182
Block first atom: 8540
Blocpdb> 51 atoms in block 183
Block first atom: 8590
Blocpdb> 19 atoms in block 184
Block first atom: 8640
Blocpdb> 184 blocks.
Blocpdb> At most, 61 atoms in each of them.
Blocpdb> At least, 16 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> 2984058 matrix lines read.
Prepmat> Matrix order = 25977
Prepmat> Matrix trace = 6516500.0000
Prepmat> Last element read: 25977 25977 104.4801
Prepmat> 17021 lines saved.
Prepmat> 15630 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: 8659
RTB> Total mass = 8659.0000
RTB> Number of atoms found in matrix: 8659
RTB> Number of blocks = 184
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 170701.9795
RTB> 47280 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 = 1104
Diagstd> Nb of non-zero elements: 47280
Diagstd> Projected matrix trace = 170701.9795
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1104 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 170701.9795
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 0.0824095 0.1045957 0.2262738 0.3937166
0.5034185 0.7551676 0.9544303 1.0631051 1.3717077
1.4824444 1.8300832 2.0018737 2.1130706 2.1692436
2.4374815 2.7085254 2.9649901 3.0650534 3.4962299
3.7474604 4.0295777 4.3297996 4.4630033 4.8432377
5.0958604 5.6088850 5.8178586 5.9896377 6.3744617
6.4431396 6.7274128 7.0159155 7.2216854 7.5409314
8.0624200 8.4200877 8.9195647 9.2346040 9.3894649
9.6312881 9.6893374 9.8760333 10.9070504 11.1742845
11.5267964 11.7627283 11.8909712 11.9633628 12.4109006
12.6251393 13.0340372 13.2756938 13.5747625 13.8977827
13.9243234 14.3558597 14.8740411 15.1906184 15.5327405
16.0790513 16.5735793 16.8465376 17.1452080 17.5452848
18.0500785 18.1580723 18.6295053 18.7663505 19.3496689
19.8146273 19.9409535 20.3777980 20.7082725 21.2106915
21.3097188 21.7112778 22.0722500 22.6691860 22.9998871
23.3372804 23.5418989 23.8530324 24.1730756 24.3344242
24.4532905 24.8621942 24.9911039 25.4746690 25.8244134
25.9734060 26.0318253 26.5700477 26.8403076 27.2367670
27.2836755 27.5867162 27.8896761 28.0319567 28.6696495
29.0697626
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034335 0.0034337 0.0034338 0.0034342
0.0034344 31.1733876 35.1198191 51.6550079 68.1376449
77.0477366 94.3663052 106.0882754 111.9652825 127.1821228
132.2161440 146.9030128 153.6432966 157.8527975 159.9371833
169.5375665 178.7153024 186.9850594 190.1140895 203.0463883
210.2150503 217.9842150 225.9587583 229.4081726 238.9808882
245.1342754 257.1778428 261.9249439 265.7636369 274.1681730
275.6411484 281.6562014 287.6321681 291.8196715 298.2000941
308.3386670 315.1037609 324.3150565 329.9927648 332.7481898
337.0058710 338.0199394 341.2609170 358.6319195 362.9987616
368.6800104 372.4339923 374.4587156 375.5968292 382.5576839
385.8454373 392.0439526 395.6615915 400.0934118 404.8256656
405.2120302 411.4431936 418.8029851 423.2363957 427.9759097
435.4371625 442.0826135 445.7081831 449.6417805 454.8576377
461.3545712 462.7326577 468.7010659 470.4193659 477.6744902
483.3795073 484.9179279 490.2006767 494.1595757 500.1182392
501.2843422 505.9853846 510.1743077 517.0270241 520.7845991
524.5904772 526.8852317 530.3555028 533.9016164 535.6804754
536.9872000 541.4582898 542.8601971 548.0870676 551.8366153
553.4262219 554.0482543 559.7465784 562.5861344 566.7258967
567.2137078 570.3550406 573.4783346 574.9392879 581.4420975
585.4853371
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8659
Rtb_to_modes> Number of blocs = 184
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: 9.9955E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.2410E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1046
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2263
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3937
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5034
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.7552
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.9544
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.063
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.372
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.482
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.830
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.002
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.113
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.169
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.437
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.709
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.965
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.065
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.496
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.747
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.030
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.330
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.463
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.843
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 5.096
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 5.609
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 5.818
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.990
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 6.374
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.443
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.727
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 7.016
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.222
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.541
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 8.062
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.420
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.920
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.235
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.389
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.631
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 9.689
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 9.876
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 10.91
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 11.17
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 11.53
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 11.76
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 11.96
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 12.41
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 12.63
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 13.03
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 13.92
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 14.36
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 14.87
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 15.19
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 15.53
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 16.08
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 16.85
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 17.15
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 17.55
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 18.05
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 18.16
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 18.63
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 19.35
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 19.81
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 19.94
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 20.38
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 20.71
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 21.21
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 21.31
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 21.71
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 22.07
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 23.00
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 23.54
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 23.85
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 24.17
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 24.33
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 24.45
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 24.86
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 25.47
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 25.82
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 25.97
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 26.03
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 26.84
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 27.24
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 27.28
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 27.59
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 27.89
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 28.03
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 28.67
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 29.07
Rtb_to_modes> 106 vectors, with 1104 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00003 1.00000 0.99999
1.00000 1.00000 1.00000 0.99999 1.00000
0.99997 0.99999 1.00000 1.00002 0.99999
0.99999 0.99999 1.00000 0.99999 1.00000
0.99996 1.00002 1.00000 1.00001 1.00004
1.00001 0.99996 1.00000 0.99995 0.99998
0.99999 0.99999 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 1.00001 0.99999
1.00001 0.99999 1.00000 1.00000 0.99999
1.00001 1.00000 0.99999 1.00004 1.00001
0.99998 0.99998 0.99999 0.99998 1.00000
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 1.00000 1.00001 1.00000 0.99999
1.00003 1.00000 0.99999 0.99999 1.00001
0.99999 1.00002 1.00000 0.99999 1.00002
1.00001 1.00000 1.00001 1.00001 1.00001
0.99998 1.00003 0.99999 0.99998 0.99999
1.00000 1.00002 0.99997 0.99999 0.99998
1.00001 1.00000 1.00000 1.00000 0.99998
1.00002 0.99996 1.00001 0.99999 0.99998
1.00001 1.00003 1.00000 1.00001 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 155862 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00003 1.00000 0.99999
1.00000 1.00000 1.00000 0.99999 1.00000
0.99997 0.99999 1.00000 1.00002 0.99999
0.99999 0.99999 1.00000 0.99999 1.00000
0.99996 1.00002 1.00000 1.00001 1.00004
1.00001 0.99996 1.00000 0.99995 0.99998
0.99999 0.99999 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 1.00001 0.99999
1.00001 0.99999 1.00000 1.00000 0.99999
1.00001 1.00000 0.99999 1.00004 1.00001
0.99998 0.99998 0.99999 0.99998 1.00000
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 1.00000 1.00001 1.00000 0.99999
1.00003 1.00000 0.99999 0.99999 1.00001
0.99999 1.00002 1.00000 0.99999 1.00002
1.00001 1.00000 1.00001 1.00001 1.00001
0.99998 1.00003 0.99999 0.99998 0.99999
1.00000 1.00002 0.99997 0.99999 0.99998
1.00001 1.00000 1.00000 1.00000 0.99998
1.00002 0.99996 1.00001 0.99999 0.99998
1.00001 1.00003 1.00000 1.00001 0.99999
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000-0.000 0.000-0.000
Vector 6: 0.000-0.000-0.000-0.000-0.000
Vector 7:-0.000-0.000-0.000-0.000 0.000 0.000
Vector 8:-0.000 0.000-0.000 0.000-0.000-0.000 0.000
Vector 9:-0.000-0.000 0.000 0.000 0.000 0.000 0.000-0.000
Vector 10:-0.000-0.000-0.000 0.000 0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240113202932974388.eigenfacs
Openam> file on opening on unit 10:
240113202932974388.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240113202932974388.atom
Openam> file on opening on unit 11:
240113202932974388.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 = 1086
First residue number = 7
Last residue number = 241
Number of atoms found = 8659
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-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: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2410E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7552
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.482
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.030
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.631
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 11.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 12.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 13.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 15.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 15.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 16.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 17.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 17.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 18.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 18.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 19.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 21.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 21.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 21.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 22.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 23.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 23.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 23.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 24.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 24.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 24.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 24.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 25.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 25.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 25.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 26.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 26.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 27.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 27.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 27.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 27.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 28.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 28.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 29.07
Bfactors> 106 vectors, 25977 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 : 0.082410
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= 0.500 for 1086 C-alpha atoms.
Bfactors> = 0.081 +/- 0.08
Bfactors> = 21.946 +/- 22.57
Bfactors> Shiftng-fct= 21.865
Bfactors> Scaling-fct= 278.033
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240113202932974388 7 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 240113202932974388 8 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 240113202932974388 9 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 240113202932974388 10 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 240113202932974388 11 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 240113202932974388 12 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 240113202932974388 13 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 240113202932974388 14 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 240113202932974388 15 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 240113202932974388 16 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 240113202932974388 17 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 240113202932974388 18 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 240113202932974388 19 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 240113202932974388 20 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 240113202932974388 21 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 240113202932974388 22 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 240113202932974388 23 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 240113202932974388 24 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 240113202932974388 25 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 240113202932974388 26 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 240113202932974388 27 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 240113202932974388 28 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 240113202932974388 29 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 240113202932974388 30 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 240113202932974388 31 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-200
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=-20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=0
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=20
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=40
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=60
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=80
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=100
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=120
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=140
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=160
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=180
240113202932974388.eigenfacs
240113202932974388.atom
calculating perturbed structure for DQ=200
240113202932974388.eigenfacs
240113202932974388.atom
making animated gifs
21 models are in 240113202932974388.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 240113202932974388.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
240113202932974388.10.pdb
240113202932974388.11.pdb
240113202932974388.12.pdb
240113202932974388.13.pdb
240113202932974388.14.pdb
240113202932974388.15.pdb
240113202932974388.16.pdb
240113202932974388.17.pdb
240113202932974388.18.pdb
240113202932974388.19.pdb
240113202932974388.20.pdb
240113202932974388.21.pdb
240113202932974388.22.pdb
240113202932974388.23.pdb
240113202932974388.24.pdb
240113202932974388.25.pdb
240113202932974388.26.pdb
240113202932974388.27.pdb
240113202932974388.28.pdb
240113202932974388.29.pdb
240113202932974388.30.pdb
240113202932974388.31.pdb
240113202932974388.7.pdb
240113202932974388.8.pdb
240113202932974388.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m42.594s
user 0m42.348s
sys 0m0.136s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240113202932974388.Chkmod.res: No such file or directory
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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