***  S425L 20  ***
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 = 2401180507361594694.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 2401180507361594694.atom to be opened.
Openam> File opened: 2401180507361594694.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 = 10478
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 6.968796 +/- 26.548304 From: -65.750000 To: 74.625000
= 2.494417 +/- 22.404909 From: -70.250000 To: 57.969000
= -2.790829 +/- 18.252347 From: -44.250000 To: 53.250000
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 0.7743 % Filled.
Pdbmat> 3825570 non-zero elements.
Pdbmat> 418902 atom-atom interactions.
Pdbmat> Number per atom= 79.96 +/- 22.98
Maximum number = 132
Minimum number = 9
Pdbmat> Matrix trace = 8.378040E+06
Pdbmat> Larger element = 514.398
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 = 2401180507361594694.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 2401180507361594694.atom to be opened.
Openam> file on opening on unit 11:
2401180507361594694.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10478 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> 53 atoms in block 61
Block first atom: 3335
Blocpdb> 48 atoms in block 62
Block first atom: 3388
Blocpdb> 33 atoms in block 63
Block first atom: 3436
Blocpdb> 57 atoms in block 64
Block first atom: 3469
Blocpdb> 60 atoms in block 65
Block first atom: 3526
Blocpdb> 50 atoms in block 66
Block first atom: 3586
Blocpdb> 49 atoms in block 67
Block first atom: 3636
Blocpdb> 52 atoms in block 68
Block first atom: 3685
Blocpdb> 58 atoms in block 69
Block first atom: 3737
Blocpdb> 49 atoms in block 70
Block first atom: 3795
Blocpdb> 59 atoms in block 71
Block first atom: 3844
Blocpdb> 61 atoms in block 72
Block first atom: 3903
Blocpdb> 53 atoms in block 73
Block first atom: 3964
Blocpdb> 50 atoms in block 74
Block first atom: 4017
Blocpdb> 47 atoms in block 75
Block first atom: 4067
Blocpdb> 39 atoms in block 76
Block first atom: 4114
Blocpdb> 45 atoms in block 77
Block first atom: 4153
Blocpdb> 51 atoms in block 78
Block first atom: 4198
Blocpdb> 56 atoms in block 79
Block first atom: 4249
Blocpdb> 50 atoms in block 80
Block first atom: 4305
Blocpdb> 55 atoms in block 81
Block first atom: 4355
Blocpdb> 58 atoms in block 82
Block first atom: 4410
Blocpdb> 56 atoms in block 83
Block first atom: 4468
Blocpdb> 54 atoms in block 84
Block first atom: 4524
Blocpdb> 50 atoms in block 85
Block first atom: 4578
Blocpdb> 59 atoms in block 86
Block first atom: 4628
Blocpdb> 73 atoms in block 87
Block first atom: 4687
Blocpdb> 50 atoms in block 88
Block first atom: 4760
Blocpdb> 48 atoms in block 89
Block first atom: 4810
Blocpdb> 57 atoms in block 90
Block first atom: 4858
Blocpdb> 52 atoms in block 91
Block first atom: 4915
Blocpdb> 49 atoms in block 92
Block first atom: 4967
Blocpdb> 49 atoms in block 93
Block first atom: 5016
Blocpdb> 60 atoms in block 94
Block first atom: 5065
Blocpdb> 55 atoms in block 95
Block first atom: 5125
Blocpdb> 45 atoms in block 96
Block first atom: 5180
Blocpdb> 15 atoms in block 97
Block first atom: 5225
Blocpdb> 44 atoms in block 98
Block first atom: 5240
Blocpdb> 55 atoms in block 99
Block first atom: 5284
Blocpdb> 59 atoms in block 100
Block first atom: 5339
Blocpdb> 57 atoms in block 101
Block first atom: 5398
Blocpdb> 60 atoms in block 102
Block first atom: 5455
Blocpdb> 54 atoms in block 103
Block first atom: 5515
Blocpdb> 62 atoms in block 104
Block first atom: 5569
Blocpdb> 55 atoms in block 105
Block first atom: 5631
Blocpdb> 49 atoms in block 106
Block first atom: 5686
Blocpdb> 55 atoms in block 107
Block first atom: 5735
Blocpdb> 55 atoms in block 108
Block first atom: 5790
Blocpdb> 56 atoms in block 109
Block first atom: 5845
Blocpdb> 47 atoms in block 110
Block first atom: 5901
Blocpdb> 59 atoms in block 111
Block first atom: 5948
Blocpdb> 50 atoms in block 112
Block first atom: 6007
Blocpdb> 58 atoms in block 113
Block first atom: 6057
Blocpdb> 56 atoms in block 114
Block first atom: 6115
Blocpdb> 59 atoms in block 115
Block first atom: 6171
Blocpdb> 67 atoms in block 116
Block first atom: 6230
Blocpdb> 58 atoms in block 117
Block first atom: 6297
Blocpdb> 65 atoms in block 118
Block first atom: 6355
Blocpdb> 64 atoms in block 119
Block first atom: 6420
Blocpdb> 59 atoms in block 120
Block first atom: 6484
Blocpdb> 56 atoms in block 121
Block first atom: 6543
Blocpdb> 59 atoms in block 122
Block first atom: 6599
Blocpdb> 50 atoms in block 123
Block first atom: 6658
Blocpdb> 60 atoms in block 124
Block first atom: 6708
Blocpdb> 58 atoms in block 125
Block first atom: 6768
Blocpdb> 57 atoms in block 126
Block first atom: 6826
Blocpdb> 37 atoms in block 127
Block first atom: 6883
Blocpdb> 56 atoms in block 128
Block first atom: 6920
Blocpdb> 60 atoms in block 129
Block first atom: 6976
Blocpdb> 55 atoms in block 130
Block first atom: 7036
Blocpdb> 62 atoms in block 131
Block first atom: 7091
Blocpdb> 51 atoms in block 132
Block first atom: 7153
Blocpdb> 56 atoms in block 133
Block first atom: 7204
Blocpdb> 54 atoms in block 134
Block first atom: 7260
Blocpdb> 54 atoms in block 135
Block first atom: 7314
Blocpdb> 59 atoms in block 136
Block first atom: 7368
Blocpdb> 59 atoms in block 137
Block first atom: 7427
Blocpdb> 56 atoms in block 138
Block first atom: 7486
Blocpdb> 54 atoms in block 139
Block first atom: 7542
Blocpdb> 52 atoms in block 140
Block first atom: 7596
Blocpdb> 53 atoms in block 141
Block first atom: 7648
Blocpdb> 53 atoms in block 142
Block first atom: 7701
Blocpdb> 52 atoms in block 143
Block first atom: 7754
Blocpdb> 49 atoms in block 144
Block first atom: 7806
Blocpdb> 56 atoms in block 145
Block first atom: 7855
Blocpdb> 37 atoms in block 146
Block first atom: 7911
Blocpdb> 54 atoms in block 147
Block first atom: 7948
Blocpdb> 59 atoms in block 148
Block first atom: 8002
Blocpdb> 51 atoms in block 149
Block first atom: 8061
Blocpdb> 59 atoms in block 150
Block first atom: 8112
Blocpdb> 59 atoms in block 151
Block first atom: 8171
Blocpdb> 65 atoms in block 152
Block first atom: 8230
Blocpdb> 61 atoms in block 153
Block first atom: 8295
Blocpdb> 52 atoms in block 154
Block first atom: 8356
Blocpdb> 46 atoms in block 155
Block first atom: 8408
Blocpdb> 55 atoms in block 156
Block first atom: 8454
Blocpdb> 65 atoms in block 157
Block first atom: 8509
Blocpdb> 53 atoms in block 158
Block first atom: 8574
Blocpdb> 48 atoms in block 159
Block first atom: 8627
Blocpdb> 33 atoms in block 160
Block first atom: 8675
Blocpdb> 57 atoms in block 161
Block first atom: 8708
Blocpdb> 60 atoms in block 162
Block first atom: 8765
Blocpdb> 50 atoms in block 163
Block first atom: 8825
Blocpdb> 49 atoms in block 164
Block first atom: 8875
Blocpdb> 52 atoms in block 165
Block first atom: 8924
Blocpdb> 58 atoms in block 166
Block first atom: 8976
Blocpdb> 49 atoms in block 167
Block first atom: 9034
Blocpdb> 59 atoms in block 168
Block first atom: 9083
Blocpdb> 61 atoms in block 169
Block first atom: 9142
Blocpdb> 53 atoms in block 170
Block first atom: 9203
Blocpdb> 50 atoms in block 171
Block first atom: 9256
Blocpdb> 47 atoms in block 172
Block first atom: 9306
Blocpdb> 39 atoms in block 173
Block first atom: 9353
Blocpdb> 45 atoms in block 174
Block first atom: 9392
Blocpdb> 51 atoms in block 175
Block first atom: 9437
Blocpdb> 56 atoms in block 176
Block first atom: 9488
Blocpdb> 50 atoms in block 177
Block first atom: 9544
Blocpdb> 55 atoms in block 178
Block first atom: 9594
Blocpdb> 58 atoms in block 179
Block first atom: 9649
Blocpdb> 56 atoms in block 180
Block first atom: 9707
Blocpdb> 54 atoms in block 181
Block first atom: 9763
Blocpdb> 50 atoms in block 182
Block first atom: 9817
Blocpdb> 59 atoms in block 183
Block first atom: 9867
Blocpdb> 73 atoms in block 184
Block first atom: 9926
Blocpdb> 50 atoms in block 185
Block first atom: 9999
Blocpdb> 48 atoms in block 186
Block first atom: 10049
Blocpdb> 57 atoms in block 187
Block first atom: 10097
Blocpdb> 52 atoms in block 188
Block first atom: 10154
Blocpdb> 49 atoms in block 189
Block first atom: 10206
Blocpdb> 49 atoms in block 190
Block first atom: 10255
Blocpdb> 60 atoms in block 191
Block first atom: 10304
Blocpdb> 55 atoms in block 192
Block first atom: 10364
Blocpdb> 45 atoms in block 193
Block first atom: 10419
Blocpdb> 15 atoms in block 194
Block first atom: 10463
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> 3825764 matrix lines read.
Prepmat> Matrix order = 31434
Prepmat> Matrix trace = 8378040.0000
Prepmat> Last element read: 31434 31434 64.2777
Prepmat> 18916 lines saved.
Prepmat> 17482 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: 10478
RTB> Total mass = 10478.0000
RTB> Number of atoms found in matrix: 10478
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 187316.8250
RTB> 48678 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: 48678
Diagstd> Projected matrix trace = 187316.8250
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 = 187316.8250
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 0.0272119 0.0286231 0.0790528 0.0819092
0.1282943 0.2650757 0.3313562 0.4066178 0.4815882
0.5480887 0.5840816 0.6782745 0.8486387 0.9484098
1.1859972 1.4991763 1.5209859 1.6368745 1.6694887
1.7626306 2.0523563 2.1070862 2.1232221 2.4104453
2.6743025 2.9068041 3.2727601 3.6204353 4.2344736
4.3999798 4.5229668 4.7808640 4.9473125 5.0854429
5.1182651 5.6664262 5.8295128 5.9810774 6.1407467
6.3995930 6.8073968 6.9630692 7.0446418 7.4309878
8.2244401 8.3973431 8.5230665 8.7109602 8.9387356
9.6655969 9.7564840 10.1580158 10.3797872 10.5689485
10.7932227 11.0632978 11.1402222 11.3378001 11.5360028
12.1269754 12.5189428 12.8045670 13.3609568 13.7931565
14.1078309 14.4674646 14.6970160 15.1703080 15.3005798
15.6223442 15.7462669 15.7897571 15.9469070 16.2069489
16.6163112 16.9439657 17.1033933 17.3870453 17.7192983
17.7927334 18.1529238 18.5047732 18.8833408 19.2412290
19.4019413 19.9138297 20.2359248 20.3388685 20.6304755
21.0841422 21.2720395 21.3657924 21.6773846 21.8796335
22.0413347 22.2939883 22.7405839 23.2705391 23.3099278
23.4308291
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034332 0.0034335 0.0034336 0.0034340
0.0034341 17.9132768 18.3718650 30.5319053 31.0786149
38.8954621 55.9088098 62.5090401 69.2450063 75.3586648
80.3934553 82.9911991 89.4330485 100.0360892 105.7531434
118.2597941 132.9601942 133.9238320 138.9322174 140.3094815
144.1703448 155.5684988 157.6291116 158.2315178 168.5947007
177.5826552 185.1412366 196.4501504 206.6215785 223.4575296
227.7826396 230.9441588 237.4370430 241.5349328 244.8835832
245.6725695 258.4936622 262.1871545 265.5736564 269.0951508
274.7080944 283.3255978 286.5468475 288.2204144 296.0182969
311.4213997 314.6778903 317.0247874 320.5001934 324.6633944
337.6055836 339.1891478 346.0985034 349.8561434 353.0296411
356.7556407 361.1915495 362.4450778 365.6450332 368.8272133
378.1564642 384.2192399 388.5775705 396.9301243 403.2989690
407.8734185 413.0394129 416.3033104 422.9533603 424.7654885
429.2085659 430.9075314 431.5021912 433.6441692 437.1655312
442.6521614 446.9951506 449.0931403 452.8018298 457.1077034
458.0539320 462.6670510 467.1293587 471.8833954 476.3341126
478.3192659 484.5880216 488.4912727 489.7322165 493.2304711
498.6240809 500.8409670 501.9434392 505.5902868 507.9433765
509.8168962 512.7305143 517.8405865 523.8398131 524.2829622
525.6408491
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10478
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: 9.9944E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.7212E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.8623E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.9053E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.1909E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1283
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.2651
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.3314
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.4066
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4816
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.5481
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5841
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6783
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8486
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9484
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.186
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.499
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.521
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.637
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.669
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.763
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.052
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.107
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.123
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.410
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.674
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.907
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.273
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.620
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.234
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.400
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.523
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.781
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.947
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 5.085
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 5.118
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 5.666
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 5.830
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 5.981
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 6.141
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 6.400
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 6.807
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 6.963
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 7.045
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 7.431
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 8.224
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 8.397
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 8.523
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 8.711
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 8.939
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 9.666
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 9.756
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 10.16
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 10.38
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 10.57
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 10.79
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 11.06
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 11.14
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 11.54
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 12.13
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 12.52
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 12.80
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 13.36
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 14.11
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 14.47
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 14.70
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 15.17
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 15.30
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 15.62
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 15.75
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 15.79
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 15.95
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 16.62
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 16.94
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 17.39
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 17.72
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 17.79
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 18.15
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 18.50
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 18.88
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 19.24
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 19.40
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 19.91
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 20.24
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 20.34
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 20.63
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 21.08
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 21.27
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 21.37
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 21.68
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 21.88
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 22.04
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 22.29
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 22.74
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 23.27
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 23.31
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 23.43
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99998 1.00001 1.00000 1.00000
1.00001 1.00002 1.00004 0.99998 1.00001
1.00000 1.00000 1.00001 0.99998 1.00001
0.99999 1.00001 0.99998 1.00001 0.99999
0.99998 0.99999 1.00001 1.00002 1.00001
0.99995 1.00000 1.00002 1.00000 1.00002
0.99997 1.00001 1.00004 0.99998 1.00001
1.00001 1.00002 1.00002 1.00002 1.00004
1.00001 0.99998 1.00000 1.00001 0.99999
1.00000 0.99997 1.00001 0.99998 0.99999
1.00002 0.99999 0.99998 1.00000 1.00001
1.00001 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 1.00001 1.00000 1.00002
0.99998 0.99999 1.00000 0.99998 1.00001
1.00000 1.00001 0.99998 0.99998 1.00001
1.00001 1.00000 1.00001 1.00000 0.99999
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000 1.00000 0.99998 0.99997 1.00001
0.99997 0.99999 1.00000 1.00000 1.00001
1.00002 0.99999 1.00001 1.00000 0.99997
0.99996 1.00000 0.99998 1.00000 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188604 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99998 1.00001 1.00000 1.00000
1.00001 1.00002 1.00004 0.99998 1.00001
1.00000 1.00000 1.00001 0.99998 1.00001
0.99999 1.00001 0.99998 1.00001 0.99999
0.99998 0.99999 1.00001 1.00002 1.00001
0.99995 1.00000 1.00002 1.00000 1.00002
0.99997 1.00001 1.00004 0.99998 1.00001
1.00001 1.00002 1.00002 1.00002 1.00004
1.00001 0.99998 1.00000 1.00001 0.99999
1.00000 0.99997 1.00001 0.99998 0.99999
1.00002 0.99999 0.99998 1.00000 1.00001
1.00001 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 1.00001 1.00000 1.00002
0.99998 0.99999 1.00000 0.99998 1.00001
1.00000 1.00001 0.99998 0.99998 1.00001
1.00001 1.00000 1.00001 1.00000 0.99999
0.99999 1.00001 0.99999 1.00001 0.99999
1.00000 1.00000 0.99998 0.99997 1.00001
0.99997 0.99999 1.00000 1.00000 1.00001
1.00002 0.99999 1.00001 1.00000 0.99997
0.99996 1.00000 0.99998 1.00000 0.99998
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000-0.000-0.000 0.000
Vector 6: 0.000 0.000-0.000-0.000 0.000
Vector 7:-0.000-0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000-0.000-0.000-0.000
Vector 9: 0.000-0.000-0.000-0.000-0.000-0.000 0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000 0.000 0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401180507361594694.eigenfacs
Openam> file on opening on unit 10:
2401180507361594694.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401180507361594694.atom
Openam> file on opening on unit 11:
2401180507361594694.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 = 10478
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: 9.9944E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.7212E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8623E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.9053E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1909E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4816
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.410
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.674
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 5.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 5.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 5.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 5.830
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 5.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 6.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 6.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 6.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 6.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 7.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 7.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 8.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 8.939
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 21.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 22.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 23.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 23.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 23.43
Bfactors> 106 vectors, 31434 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 : 0.027212
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= -0.295 for 1350 C-alpha atoms.
Bfactors> = 0.258 +/- 2.37
Bfactors> = 76.559 +/- 16.60
Bfactors> Shiftng-fct= 76.300
Bfactors> Scaling-fct= 6.999
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401180507361594694 7 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.7.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 2401180507361594694.7.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 2401180507361594694.7.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 2401180507361594694 8 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.8.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 2401180507361594694.8.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 2401180507361594694.8.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 2401180507361594694 9 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.9.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 2401180507361594694.9.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 2401180507361594694.9.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 2401180507361594694 10 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.10.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 2401180507361594694.10.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 2401180507361594694.10.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 2401180507361594694 11 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.11.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 2401180507361594694.11.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 2401180507361594694.11.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 2401180507361594694 12 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.12.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 2401180507361594694.12.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 2401180507361594694.12.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 2401180507361594694 13 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.13.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 2401180507361594694.13.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 2401180507361594694.13.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 2401180507361594694 14 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.14.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 2401180507361594694.14.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 2401180507361594694.14.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 2401180507361594694 15 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.15.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 2401180507361594694.15.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 2401180507361594694.15.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 2401180507361594694 16 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=-20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=0
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=20
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=40
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=60
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=80
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=100
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=120
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=140
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=160
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=180
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=200
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=220
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=240
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=260
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=280
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=300
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=320
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=340
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=360
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=380
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=400
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=420
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=440
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=460
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=480
2401180507361594694.eigenfacs
2401180507361594694.atom
calculating perturbed structure for DQ=500
2401180507361594694.eigenfacs
2401180507361594694.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401180507361594694.16.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 2401180507361594694.16.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 2401180507361594694.16.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
2401180507361594694.10.pdb
2401180507361594694.11.pdb
2401180507361594694.12.pdb
2401180507361594694.13.pdb
2401180507361594694.14.pdb
2401180507361594694.15.pdb
2401180507361594694.16.pdb
2401180507361594694.7.pdb
2401180507361594694.8.pdb
2401180507361594694.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m57.561s
user 0m57.367s
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: 2401180507361594694.Chkmod.res: No such file or directory
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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