***  wt  ***
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 = 2401180509121595105.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 2401180509121595105.atom to be opened.
Openam> File opened: 2401180509121595105.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10474
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 7.470458 +/- 28.095333 From: -57.719000 To: 76.500000
= 1.533427 +/- 23.048340 From: -67.250000 To: 61.875000
= -1.400546 +/- 16.377369 From: -43.750000 To: 51.312000
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 0.7847 % Filled.
Pdbmat> 3874097 non-zero elements.
Pdbmat> 424333 atom-atom interactions.
Pdbmat> Number per atom= 81.03 +/- 23.23
Maximum number = 129
Minimum number = 9
Pdbmat> Matrix trace = 8.486660E+06
Pdbmat> Larger element = 507.516
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1350 non-zero elements, NRBL set to 7
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 = 2401180509121595105.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2401180509121595105.atom to be opened.
Openam> file on opening on unit 11:
2401180509121595105.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10474 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1350 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 45
Blocpdb> 59 atoms in block 3
Block first atom: 100
Blocpdb> 57 atoms in block 4
Block first atom: 159
Blocpdb> 60 atoms in block 5
Block first atom: 216
Blocpdb> 54 atoms in block 6
Block first atom: 276
Blocpdb> 62 atoms in block 7
Block first atom: 330
Blocpdb> 55 atoms in block 8
Block first atom: 392
Blocpdb> 49 atoms in block 9
Block first atom: 447
Blocpdb> 55 atoms in block 10
Block first atom: 496
Blocpdb> 55 atoms in block 11
Block first atom: 551
Blocpdb> 56 atoms in block 12
Block first atom: 606
Blocpdb> 47 atoms in block 13
Block first atom: 662
Blocpdb> 59 atoms in block 14
Block first atom: 709
Blocpdb> 50 atoms in block 15
Block first atom: 768
Blocpdb> 58 atoms in block 16
Block first atom: 818
Blocpdb> 56 atoms in block 17
Block first atom: 876
Blocpdb> 59 atoms in block 18
Block first atom: 932
Blocpdb> 67 atoms in block 19
Block first atom: 991
Blocpdb> 58 atoms in block 20
Block first atom: 1058
Blocpdb> 65 atoms in block 21
Block first atom: 1116
Blocpdb> 64 atoms in block 22
Block first atom: 1181
Blocpdb> 59 atoms in block 23
Block first atom: 1245
Blocpdb> 56 atoms in block 24
Block first atom: 1304
Blocpdb> 59 atoms in block 25
Block first atom: 1360
Blocpdb> 50 atoms in block 26
Block first atom: 1419
Blocpdb> 60 atoms in block 27
Block first atom: 1469
Blocpdb> 58 atoms in block 28
Block first atom: 1529
Blocpdb> 57 atoms in block 29
Block first atom: 1587
Blocpdb> 37 atoms in block 30
Block first atom: 1644
Blocpdb> 56 atoms in block 31
Block first atom: 1681
Blocpdb> 60 atoms in block 32
Block first atom: 1737
Blocpdb> 55 atoms in block 33
Block first atom: 1797
Blocpdb> 62 atoms in block 34
Block first atom: 1852
Blocpdb> 51 atoms in block 35
Block first atom: 1914
Blocpdb> 56 atoms in block 36
Block first atom: 1965
Blocpdb> 54 atoms in block 37
Block first atom: 2021
Blocpdb> 54 atoms in block 38
Block first atom: 2075
Blocpdb> 59 atoms in block 39
Block first atom: 2129
Blocpdb> 59 atoms in block 40
Block first atom: 2188
Blocpdb> 56 atoms in block 41
Block first atom: 2247
Blocpdb> 54 atoms in block 42
Block first atom: 2303
Blocpdb> 52 atoms in block 43
Block first atom: 2357
Blocpdb> 53 atoms in block 44
Block first atom: 2409
Blocpdb> 53 atoms in block 45
Block first atom: 2462
Blocpdb> 52 atoms in block 46
Block first atom: 2515
Blocpdb> 49 atoms in block 47
Block first atom: 2567
Blocpdb> 56 atoms in block 48
Block first atom: 2616
Blocpdb> 37 atoms in block 49
Block first atom: 2672
Blocpdb> 54 atoms in block 50
Block first atom: 2709
Blocpdb> 59 atoms in block 51
Block first atom: 2763
Blocpdb> 51 atoms in block 52
Block first atom: 2822
Blocpdb> 59 atoms in block 53
Block first atom: 2873
Blocpdb> 59 atoms in block 54
Block first atom: 2932
Blocpdb> 65 atoms in block 55
Block first atom: 2991
Blocpdb> 61 atoms in block 56
Block first atom: 3056
Blocpdb> 52 atoms in block 57
Block first atom: 3117
Blocpdb> 46 atoms in block 58
Block first atom: 3169
Blocpdb> 55 atoms in block 59
Block first atom: 3215
Blocpdb> 65 atoms in block 60
Block first atom: 3270
Blocpdb> 51 atoms in block 61
Block first atom: 3335
Blocpdb> 48 atoms in block 62
Block first atom: 3386
Blocpdb> 33 atoms in block 63
Block first atom: 3434
Blocpdb> 57 atoms in block 64
Block first atom: 3467
Blocpdb> 60 atoms in block 65
Block first atom: 3524
Blocpdb> 50 atoms in block 66
Block first atom: 3584
Blocpdb> 49 atoms in block 67
Block first atom: 3634
Blocpdb> 52 atoms in block 68
Block first atom: 3683
Blocpdb> 58 atoms in block 69
Block first atom: 3735
Blocpdb> 49 atoms in block 70
Block first atom: 3793
Blocpdb> 59 atoms in block 71
Block first atom: 3842
Blocpdb> 61 atoms in block 72
Block first atom: 3901
Blocpdb> 53 atoms in block 73
Block first atom: 3962
Blocpdb> 50 atoms in block 74
Block first atom: 4015
Blocpdb> 47 atoms in block 75
Block first atom: 4065
Blocpdb> 39 atoms in block 76
Block first atom: 4112
Blocpdb> 45 atoms in block 77
Block first atom: 4151
Blocpdb> 51 atoms in block 78
Block first atom: 4196
Blocpdb> 56 atoms in block 79
Block first atom: 4247
Blocpdb> 50 atoms in block 80
Block first atom: 4303
Blocpdb> 55 atoms in block 81
Block first atom: 4353
Blocpdb> 58 atoms in block 82
Block first atom: 4408
Blocpdb> 56 atoms in block 83
Block first atom: 4466
Blocpdb> 54 atoms in block 84
Block first atom: 4522
Blocpdb> 50 atoms in block 85
Block first atom: 4576
Blocpdb> 59 atoms in block 86
Block first atom: 4626
Blocpdb> 73 atoms in block 87
Block first atom: 4685
Blocpdb> 50 atoms in block 88
Block first atom: 4758
Blocpdb> 48 atoms in block 89
Block first atom: 4808
Blocpdb> 57 atoms in block 90
Block first atom: 4856
Blocpdb> 52 atoms in block 91
Block first atom: 4913
Blocpdb> 49 atoms in block 92
Block first atom: 4965
Blocpdb> 49 atoms in block 93
Block first atom: 5014
Blocpdb> 60 atoms in block 94
Block first atom: 5063
Blocpdb> 55 atoms in block 95
Block first atom: 5123
Blocpdb> 45 atoms in block 96
Block first atom: 5178
Blocpdb> 15 atoms in block 97
Block first atom: 5223
Blocpdb> 44 atoms in block 98
Block first atom: 5238
Blocpdb> 55 atoms in block 99
Block first atom: 5282
Blocpdb> 59 atoms in block 100
Block first atom: 5337
Blocpdb> 57 atoms in block 101
Block first atom: 5396
Blocpdb> 60 atoms in block 102
Block first atom: 5453
Blocpdb> 54 atoms in block 103
Block first atom: 5513
Blocpdb> 62 atoms in block 104
Block first atom: 5567
Blocpdb> 55 atoms in block 105
Block first atom: 5629
Blocpdb> 49 atoms in block 106
Block first atom: 5684
Blocpdb> 55 atoms in block 107
Block first atom: 5733
Blocpdb> 55 atoms in block 108
Block first atom: 5788
Blocpdb> 56 atoms in block 109
Block first atom: 5843
Blocpdb> 47 atoms in block 110
Block first atom: 5899
Blocpdb> 59 atoms in block 111
Block first atom: 5946
Blocpdb> 50 atoms in block 112
Block first atom: 6005
Blocpdb> 58 atoms in block 113
Block first atom: 6055
Blocpdb> 56 atoms in block 114
Block first atom: 6113
Blocpdb> 59 atoms in block 115
Block first atom: 6169
Blocpdb> 67 atoms in block 116
Block first atom: 6228
Blocpdb> 58 atoms in block 117
Block first atom: 6295
Blocpdb> 65 atoms in block 118
Block first atom: 6353
Blocpdb> 64 atoms in block 119
Block first atom: 6418
Blocpdb> 59 atoms in block 120
Block first atom: 6482
Blocpdb> 56 atoms in block 121
Block first atom: 6541
Blocpdb> 59 atoms in block 122
Block first atom: 6597
Blocpdb> 50 atoms in block 123
Block first atom: 6656
Blocpdb> 60 atoms in block 124
Block first atom: 6706
Blocpdb> 58 atoms in block 125
Block first atom: 6766
Blocpdb> 57 atoms in block 126
Block first atom: 6824
Blocpdb> 37 atoms in block 127
Block first atom: 6881
Blocpdb> 56 atoms in block 128
Block first atom: 6918
Blocpdb> 60 atoms in block 129
Block first atom: 6974
Blocpdb> 55 atoms in block 130
Block first atom: 7034
Blocpdb> 62 atoms in block 131
Block first atom: 7089
Blocpdb> 51 atoms in block 132
Block first atom: 7151
Blocpdb> 56 atoms in block 133
Block first atom: 7202
Blocpdb> 54 atoms in block 134
Block first atom: 7258
Blocpdb> 54 atoms in block 135
Block first atom: 7312
Blocpdb> 59 atoms in block 136
Block first atom: 7366
Blocpdb> 59 atoms in block 137
Block first atom: 7425
Blocpdb> 56 atoms in block 138
Block first atom: 7484
Blocpdb> 54 atoms in block 139
Block first atom: 7540
Blocpdb> 52 atoms in block 140
Block first atom: 7594
Blocpdb> 53 atoms in block 141
Block first atom: 7646
Blocpdb> 53 atoms in block 142
Block first atom: 7699
Blocpdb> 52 atoms in block 143
Block first atom: 7752
Blocpdb> 49 atoms in block 144
Block first atom: 7804
Blocpdb> 56 atoms in block 145
Block first atom: 7853
Blocpdb> 37 atoms in block 146
Block first atom: 7909
Blocpdb> 54 atoms in block 147
Block first atom: 7946
Blocpdb> 59 atoms in block 148
Block first atom: 8000
Blocpdb> 51 atoms in block 149
Block first atom: 8059
Blocpdb> 59 atoms in block 150
Block first atom: 8110
Blocpdb> 59 atoms in block 151
Block first atom: 8169
Blocpdb> 65 atoms in block 152
Block first atom: 8228
Blocpdb> 61 atoms in block 153
Block first atom: 8293
Blocpdb> 52 atoms in block 154
Block first atom: 8354
Blocpdb> 46 atoms in block 155
Block first atom: 8406
Blocpdb> 55 atoms in block 156
Block first atom: 8452
Blocpdb> 65 atoms in block 157
Block first atom: 8507
Blocpdb> 51 atoms in block 158
Block first atom: 8572
Blocpdb> 48 atoms in block 159
Block first atom: 8623
Blocpdb> 33 atoms in block 160
Block first atom: 8671
Blocpdb> 57 atoms in block 161
Block first atom: 8704
Blocpdb> 60 atoms in block 162
Block first atom: 8761
Blocpdb> 50 atoms in block 163
Block first atom: 8821
Blocpdb> 49 atoms in block 164
Block first atom: 8871
Blocpdb> 52 atoms in block 165
Block first atom: 8920
Blocpdb> 58 atoms in block 166
Block first atom: 8972
Blocpdb> 49 atoms in block 167
Block first atom: 9030
Blocpdb> 59 atoms in block 168
Block first atom: 9079
Blocpdb> 61 atoms in block 169
Block first atom: 9138
Blocpdb> 53 atoms in block 170
Block first atom: 9199
Blocpdb> 50 atoms in block 171
Block first atom: 9252
Blocpdb> 47 atoms in block 172
Block first atom: 9302
Blocpdb> 39 atoms in block 173
Block first atom: 9349
Blocpdb> 45 atoms in block 174
Block first atom: 9388
Blocpdb> 51 atoms in block 175
Block first atom: 9433
Blocpdb> 56 atoms in block 176
Block first atom: 9484
Blocpdb> 50 atoms in block 177
Block first atom: 9540
Blocpdb> 55 atoms in block 178
Block first atom: 9590
Blocpdb> 58 atoms in block 179
Block first atom: 9645
Blocpdb> 56 atoms in block 180
Block first atom: 9703
Blocpdb> 54 atoms in block 181
Block first atom: 9759
Blocpdb> 50 atoms in block 182
Block first atom: 9813
Blocpdb> 59 atoms in block 183
Block first atom: 9863
Blocpdb> 73 atoms in block 184
Block first atom: 9922
Blocpdb> 50 atoms in block 185
Block first atom: 9995
Blocpdb> 48 atoms in block 186
Block first atom: 10045
Blocpdb> 57 atoms in block 187
Block first atom: 10093
Blocpdb> 52 atoms in block 188
Block first atom: 10150
Blocpdb> 49 atoms in block 189
Block first atom: 10202
Blocpdb> 49 atoms in block 190
Block first atom: 10251
Blocpdb> 60 atoms in block 191
Block first atom: 10300
Blocpdb> 55 atoms in block 192
Block first atom: 10360
Blocpdb> 45 atoms in block 193
Block first atom: 10415
Blocpdb> 15 atoms in block 194
Block first atom: 10459
Blocpdb> 194 blocks.
Blocpdb> At most, 73 atoms in each of them.
Blocpdb> At least, 15 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 3874291 matrix lines read.
Prepmat> Matrix order = 31422
Prepmat> Matrix trace = 8486660.0000
Prepmat> Last element read: 31422 31422 18.7962
Prepmat> 18916 lines saved.
Prepmat> 17437 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: 10474
RTB> Total mass = 10474.0000
RTB> Number of atoms found in matrix: 10474
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 191479.6025
RTB> 50298 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 = 1164
Diagstd> Nb of non-zero elements: 50298
Diagstd> Projected matrix trace = 191479.6025
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1164 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 191479.6025
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 0.0296230 0.0348625 0.0375868 0.0699769
0.0708298 0.1254028 0.2305189 0.3092915 0.3670405
0.3895251 0.5115737 0.6074046 0.8483272 0.9430918
1.1854128 1.2330284 1.2708400 1.4277362 1.5409254
1.7575432 2.0334583 2.2971737 2.3890922 2.5526364
2.7941922 3.0675264 3.2013666 3.5589701 4.3297402
4.6667091 4.7245826 5.3355173 5.9312549 6.3472512
6.5659137 6.5935665 7.0591183 7.0946066 7.4277641
8.4187367 8.7067230 8.7561654 8.8363554 9.1996759
9.2238727 9.6066701 9.6556301 10.0601267 10.4413477
10.5316580 11.7915591 11.8765558 12.0974743 12.4402800
12.5445297 12.5945744 12.6987444 13.5705326 14.2248457
14.3306889 14.5071057 14.9412301 15.1154122 15.5667043
15.7422277 16.0258436 16.3725856 16.7798706 16.9743492
17.2958630 17.6084195 17.8823479 18.0727139 18.1710539
19.1045988 19.2029111 19.2912462 19.4403287 20.1468914
20.2036543 20.5085409 20.6228002 21.4112421 22.0051173
22.4639037 23.1379215 23.2435205 23.4007777 23.4792750
23.9644579 24.6646320 24.7836555 24.9867892 25.2043534
25.2924514 25.7204608 26.1233028 26.3716509 26.7566872
27.0053113
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034314 0.0034331 0.0034339 0.0034339 0.0034340
0.0034346 18.6900358 20.2756319 21.0529584 28.7258346
28.9003597 38.4546577 52.1373012 60.3919805 65.7888481
67.7739812 77.6693025 84.6319444 100.0177251 105.4562342
118.2306529 120.5818142 122.4167149 129.7535565 134.7988194
143.9621352 154.8506100 164.5857377 167.8462874 173.4961153
181.5195535 190.1907704 194.2956075 204.8601325 225.9572084
234.5852189 236.0353254 250.8323490 264.4652247 273.5823810
278.2549292 278.8402584 288.5164030 289.2407237 295.9540796
315.0784821 320.4222339 321.3307279 322.7987676 329.3681070
329.8009719 336.5748955 337.4314748 344.4268544 350.8920745
352.4062919 372.8901372 374.2316699 377.6962172 383.0102152
384.6116823 385.3780982 386.9685505 400.0310719 409.5614417
411.0823348 413.6048931 419.7478284 422.1874102 428.4435584
430.8522598 434.7161056 439.3937909 444.8254058 447.3957423
451.6129619 455.6752795 459.2059964 461.6437574 462.8980367
474.6398971 475.8595794 476.9528214 478.7922172 487.4154627
488.1016156 491.7707144 493.1387130 502.4770277 509.3978691
514.6807135 522.3450115 523.5356182 525.3036588 526.1839802
531.5927930 539.3027067 540.6023909 542.8133326 545.1713946
546.1233458 550.7248241 555.0208812 557.6528672 561.7090892
564.3127645
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10474
Rtb_to_modes> Number of blocs = 194
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: 9.9852E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9951E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.9623E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.4862E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.7587E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.9977E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.0830E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1254
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2305
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3093
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3670
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3895
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5116
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6074
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8483
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9431
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.185
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.233
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.271
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.428
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.541
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.758
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.033
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.297
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.389
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.553
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.794
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.068
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.201
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.559
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.330
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.667
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.725
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.336
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 5.931
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.347
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.566
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 6.594
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 7.059
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.095
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 7.428
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 8.419
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 8.707
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 8.756
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 8.836
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 9.200
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 9.224
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 9.607
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 9.656
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 10.06
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 10.44
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 10.53
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 12.10
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 12.44
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 12.54
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 12.70
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 14.22
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 14.33
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.94
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 15.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 15.57
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.74
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 16.03
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 16.37
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 16.78
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 16.97
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 17.30
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 17.61
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 17.88
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 18.07
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 18.17
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 19.10
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 19.20
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 19.29
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 19.44
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 20.15
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 20.20
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 20.51
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 20.62
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 21.41
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 22.01
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 22.46
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 23.14
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 23.24
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 23.40
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 23.48
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 23.96
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 24.66
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 24.78
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 25.20
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 25.29
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 25.72
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 26.12
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 26.37
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 26.76
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 27.01
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00001 1.00001
1.00000 1.00000 0.99997 1.00000 0.99997
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 0.99996 0.99997 0.99998
0.99999 1.00001 0.99997 0.99999 1.00001
0.99999 1.00001 0.99999 1.00002 1.00004
1.00000 0.99998 1.00002 1.00000 1.00001
1.00002 1.00002 0.99999 1.00000 0.99999
1.00001 0.99998 1.00001 0.99998 1.00003
0.99998 1.00002 1.00002 1.00002 0.99999
0.99999 0.99999 1.00000 1.00002 1.00003
1.00003 1.00000 0.99998 0.99999 1.00001
1.00001 1.00000 0.99998 1.00002 1.00001
1.00000 0.99998 1.00001 1.00000 1.00000
0.99997 1.00002 1.00000 1.00000 1.00002
1.00000 0.99996 1.00001 0.99999 0.99999
1.00000 0.99998 1.00001 1.00002 0.99998
0.99997 1.00001 1.00001 1.00001 1.00000
1.00000 1.00000 1.00000 1.00002 1.00004
1.00000 0.99999 1.00000 1.00001 1.00001
1.00001 1.00001 0.99999 1.00000 1.00001
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188532 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00001 1.00001
1.00000 1.00000 0.99997 1.00000 0.99997
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 0.99996 0.99997 0.99998
0.99999 1.00001 0.99997 0.99999 1.00001
0.99999 1.00001 0.99999 1.00002 1.00004
1.00000 0.99998 1.00002 1.00000 1.00001
1.00002 1.00002 0.99999 1.00000 0.99999
1.00001 0.99998 1.00001 0.99998 1.00003
0.99998 1.00002 1.00002 1.00002 0.99999
0.99999 0.99999 1.00000 1.00002 1.00003
1.00003 1.00000 0.99998 0.99999 1.00001
1.00001 1.00000 0.99998 1.00002 1.00001
1.00000 0.99998 1.00001 1.00000 1.00000
0.99997 1.00002 1.00000 1.00000 1.00002
1.00000 0.99996 1.00001 0.99999 0.99999
1.00000 0.99998 1.00001 1.00002 0.99998
0.99997 1.00001 1.00001 1.00001 1.00000
1.00000 1.00000 1.00000 1.00002 1.00004
1.00000 0.99999 1.00000 1.00001 1.00001
1.00001 1.00001 0.99999 1.00000 1.00001
1.00002
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> 2401180509121595105.eigenfacs
Openam> file on opening on unit 10:
2401180509121595105.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401180509121595105.atom
Openam> file on opening on unit 11:
2401180509121595105.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10474
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9852E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9951E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9623E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4862E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7587E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9977E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0830E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.594
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 16.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 17.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 17.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 17.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 18.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 19.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 19.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 20.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 20.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 21.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 22.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 22.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 23.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 23.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 23.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 23.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 23.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 24.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 24.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 25.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 25.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 25.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 26.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 26.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 26.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 27.01
Bfactors> 106 vectors, 31422 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 : 0.029623
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= -0.328 for 1350 C-alpha atoms.
Bfactors> = 0.284 +/- 2.26
Bfactors> = 78.646 +/- 15.35
Bfactors> Shiftng-fct= 78.362
Bfactors> Scaling-fct= 6.780
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401180509121595105 7 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2401180509121595105 8 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2401180509121595105 9 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2401180509121595105 10 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2401180509121595105 11 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2401180509121595105 12 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2401180509121595105 13 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2401180509121595105 14 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2401180509121595105 15 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2401180509121595105 16 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=-20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=0
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=20
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=40
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=60
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=80
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=100
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=120
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=140
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=160
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=180
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=200
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=220
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=240
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=260
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=280
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=300
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=320
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=340
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=360
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=380
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=400
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=420
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=440
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=460
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=480
2401180509121595105.eigenfacs
2401180509121595105.atom
calculating perturbed structure for DQ=500
2401180509121595105.eigenfacs
2401180509121595105.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180509121595105.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 2401180509121595105.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2401180509121595105.10.pdb
2401180509121595105.11.pdb
2401180509121595105.12.pdb
2401180509121595105.13.pdb
2401180509121595105.14.pdb
2401180509121595105.15.pdb
2401180509121595105.16.pdb
2401180509121595105.7.pdb
2401180509121595105.8.pdb
2401180509121595105.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.582s
user 0m57.369s
sys 0m0.164s
../../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: 2401180509121595105.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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