lammps/examples/amoeba/bitorsion.ubiquitin.data

Tinker BiTorsion parameter file for fix bitorsion

3 bitorsion types

1 25 25
  -180.0 -180.0 0.98936
  -165.0 -180.0 0.76408
  -150.0 -180.0 0.21674
  -135.0 -180.0 -0.182
  -120.0 -180.0 -0.37729
  -105.0 -180.0 -0.47834
  -90.0 -180.0 -0.59267
  -75.0 -180.0 -0.93985
  -60.0 -180.0 -1.55558
  -45.0 -180.0 -2.01849
  -30.0 -180.0 -1.94076
  -15.0 -180.0 -1.464
  0.0 -180.0 0.18253
  15.0 -180.0 -0.80364
  30.0 -180.0 -1.32974
  45.0 -180.0 -1.31658
  60.0 -180.0 -0.5014
  75.0 -180.0 0.20431
  90.0 -180.0 0.39356
  105.0 -180.0 0.20356
  120.0 -180.0 -0.16993
  135.0 -180.0 -0.22733
  150.0 -180.0 0.13703
  165.0 -180.0 0.66356
  180.0 -180.0 0.98936
  -180.0 -165.0 0.96101
  -165.0 -165.0 0.37535
  -150.0 -165.0 -0.35733
  -135.0 -165.0 -0.69994
  -120.0 -165.0 -0.67298
  -105.0 -165.0 -0.58294
  -90.0 -165.0 -0.66465
  -75.0 -165.0 -1.02945
  -60.0 -165.0 -1.72427
  -45.0 -165.0 -2.19357
  -30.0 -165.0 -2.26378
  -15.0 -165.0 -1.7385
  0.0 -165.0 -0.80969
  15.0 -165.0 -1.16164
  30.0 -165.0 -1.62772
  45.0 -165.0 -1.51932
  60.0 -165.0 -0.62569
  75.0 -165.0 0.1313
  90.0 -165.0 0.41019
  105.0 -165.0 0.32974
  120.0 -165.0 0.19191
  135.0 -165.0 0.3232
  150.0 -165.0 0.68257
  165.0 -165.0 1.03015
  180.0 -165.0 0.96101
  -180.0 -150.0 0.72651
  -165.0 -150.0 -0.04361
  -150.0 -150.0 -0.78147
  -135.0 -150.0 -0.90703
  -120.0 -150.0 -0.65095
  -105.0 -150.0 -0.48165
  -90.0 -150.0 -0.59657
  -75.0 -150.0 -1.14449
  -60.0 -150.0 -1.75396
  -45.0 -150.0 -2.279
  -30.0 -150.0 -2.14873
  -15.0 -150.0 -0.26757
  0.0 -150.0 -0.77578
  15.0 -150.0 -1.30595
  30.0 -150.0 -1.79607
  45.0 -150.0 -1.55982
  60.0 -150.0 -0.57905
  75.0 -150.0 0.30576
  90.0 -150.0 0.70711
  105.0 -150.0 0.68903
  120.0 -150.0 0.53594
  135.0 -150.0 0.60304
  150.0 -150.0 0.88805
  165.0 -150.0 0.9972
  180.0 -150.0 0.72651
  -180.0 -135.0 0.155
  -165.0 -135.0 -0.20013
  -150.0 -135.0 -0.7966
  -135.0 -135.0 -0.74958
  -120.0 -135.0 -0.43624
  -105.0 -135.0 -0.36715
  -90.0 -135.0 -0.58938
  -75.0 -135.0 -0.99698
  -60.0 -135.0 -1.59208
  -45.0 -135.0 -1.67026
  -30.0 -135.0 0.50672
  -15.0 -135.0 -0.03293
  0.0 -135.0 -0.84501
  15.0 -135.0 -1.52731
  30.0 -135.0 -1.89898
  45.0 -135.0 -1.54469
  60.0 -135.0 -0.53752
  75.0 -135.0 0.40003
  90.0 -135.0 0.88952
  105.0 -135.0 0.8215
  120.0 -135.0 0.58663
  135.0 -135.0 0.56781
  150.0 -135.0 0.74002
  165.0 -135.0 0.84486
  180.0 -135.0 0.155
  -180.0 -120.0 0.34021
  -165.0 -120.0 -0.20306
  -150.0 -120.0 -0.62787
  -135.0 -120.0 -0.55418
  -120.0 -120.0 -0.38986
  -105.0 -120.0 -0.44533
  -90.0 -120.0 -0.60179
  -75.0 -120.0 -0.93351
  -60.0 -120.0 -1.09198
  -45.0 -120.0 -0.18408
  -30.0 -120.0 1.24545
  -15.0 -120.0 -0.24279
  0.0 -120.0 -1.24581
  15.0 -120.0 -1.76363
  30.0 -120.0 -1.8081
  45.0 -120.0 -1.40319
  60.0 -120.0 -0.63233
  75.0 -120.0 0.15411
  90.0 -120.0 0.5864
  105.0 -120.0 0.51937
  120.0 -120.0 0.25822
  135.0 -120.0 0.13668
  150.0 -120.0 0.23659
  165.0 -120.0 0.46899
  180.0 -120.0 0.34021
  -180.0 -105.0 -0.15437
  -165.0 -105.0 -0.1406
  -150.0 -105.0 -0.54321
  -135.0 -105.0 -0.58112
  -120.0 -105.0 -0.64967
  -105.0 -105.0 -0.71916
  -90.0 -105.0 -0.78801
  -75.0 -105.0 -0.76163
  -60.0 -105.0 -0.33401
  -45.0 -105.0 0.9172
  -30.0 -105.0 0.65423
  -15.0 -105.0 -0.84456
  0.0 -105.0 -1.63476
  15.0 -105.0 -1.65992
  30.0 -105.0 -1.33178
  45.0 -105.0 -1.08999
  60.0 -105.0 -0.74243
  75.0 -105.0 -0.33157
  90.0 -105.0 -0.20618
  105.0 -105.0 -0.07103
  120.0 -105.0 -0.25941
  135.0 -105.0 -0.37634
  150.0 -105.0 -0.12892
  165.0 -105.0 0.19386
  180.0 -105.0 -0.15437
  -180.0 -90.0 0.4463
  -165.0 -90.0 0.02406
  -150.0 -90.0 -0.42821
  -135.0 -90.0 -0.76736
  -120.0 -90.0 -0.93537
  -105.0 -90.0 -0.86621
  -90.0 -90.0 -0.66178
  -75.0 -90.0 -0.23513
  -60.0 -90.0 0.41508
  -45.0 -90.0 0.97897
  -30.0 -90.0 -0.30358
  -15.0 -90.0 -1.42025
  0.0 -90.0 -1.62146
  15.0 -90.0 -0.98816
  30.0 -90.0 -0.58148
  45.0 -90.0 -0.49791
  60.0 -90.0 -0.32045
  75.0 -90.0 -0.39639
  90.0 -90.0 -0.94422
  105.0 -90.0 -0.74539
  120.0 -90.0 -0.60241
  135.0 -90.0 -0.56295
  150.0 -90.0 -0.15877
  165.0 -90.0 0.33609
  180.0 -90.0 0.4463
  -180.0 -75.0 0.69562
  -165.0 -75.0 0.16403
  -150.0 -75.0 -0.43627
  -135.0 -75.0 -0.79169
  -120.0 -75.0 -0.80743
  -105.0 -75.0 -0.48767
  -90.0 -75.0 0.12397
  -75.0 -75.0 0.80972
  -60.0 -75.0 0.52616
  -45.0 -75.0 -0.13884
  -30.0 -75.0 -1.08459
  -15.0 -75.0 -1.556
  0.0 -75.0 -1.12531
  15.0 -75.0 -0.19831
  30.0 -75.0 -0.00344
  45.0 -75.0 0.01061
  60.0 -75.0 0.11066
  75.0 -75.0 -0.12406
  90.0 -75.0 -0.8198
  105.0 -75.0 -1.04369
  120.0 -75.0 -0.62525
  135.0 -75.0 -0.37223
  150.0 -75.0 0.09012
  165.0 -75.0 0.58855
  180.0 -75.0 0.69562
  -180.0 -60.0 0.70531
  -165.0 -60.0 0.15456
  -150.0 -60.0 -0.40882
  -135.0 -60.0 -0.57653
  -120.0 -60.0 -0.20146
  -105.0 -60.0 0.21285
  -90.0 -60.0 0.15007
  -75.0 -60.0 0.06572
  -60.0 -60.0 -0.22861
  -45.0 -60.0 -0.75313
  -30.0 -60.0 -1.17725
  -15.0 -60.0 -1.0704
  0.0 -60.0 -0.29306
  15.0 -60.0 0.11777
  30.0 -60.0 0.42905
  45.0 -60.0 0.53679
  60.0 -60.0 0.52038
  75.0 -60.0 0.27617
  90.0 -60.0 -0.36078
  105.0 -60.0 -0.66569
  120.0 -60.0 -0.35068
  135.0 -60.0 -0.13164
  150.0 -60.0 0.27666
  165.0 -60.0 0.70865
  180.0 -60.0 0.70531
  -180.0 -45.0 0.42237
  -165.0 -45.0 -0.14148
  -150.0 -45.0 -0.50856
  -135.0 -45.0 -0.14423
  -120.0 -45.0 -0.53339
  -105.0 -45.0 -0.514
  -90.0 -45.0 -0.3329
  -75.0 -45.0 -0.24488
  -60.0 -45.0 -0.32054
  -45.0 -45.0 -0.40379
  -30.0 -45.0 -0.41006
  -15.0 -45.0 -0.23372
  0.0 -45.0 0.07185
  15.0 -45.0 0.70729
  30.0 -45.0 1.16881
  45.0 -45.0 1.23276
  60.0 -45.0 0.77518
  75.0 -45.0 0.5197
  90.0 -45.0 -0.12956
  105.0 -45.0 -0.24028
  120.0 -45.0 -0.08791
  135.0 -45.0 0.02315
  150.0 -45.0 0.32774
  165.0 -45.0 0.5533
  180.0 -45.0 0.42237
  -180.0 -30.0 0.127
  -165.0 -30.0 -0.36697
  -150.0 -30.0 -0.33178
  -135.0 -30.0 -1.09856
  -120.0 -30.0 -1.01098
  -105.0 -30.0 -0.6178
  -90.0 -30.0 -0.18232
  -75.0 -30.0 0.14143
  -60.0 -30.0 0.40819
  -45.0 -30.0 0.50556
  -30.0 -30.0 0.34379
  -15.0 -30.0 0.31224
  0.0 -30.0 0.97008
  15.0 -30.0 1.70616
  30.0 -30.0 1.99942
  45.0 -30.0 1.79196
  60.0 -30.0 1.26978
  75.0 -30.0 0.65732
  90.0 -30.0 0.04223
  105.0 -30.0 0.22658
  120.0 -30.0 0.08209
  135.0 -30.0 0.05525
  150.0 -30.0 0.22382
  165.0 -30.0 0.33964
  180.0 -30.0 0.127
  -180.0 -15.0 -0.06517
  -165.0 -15.0 -0.13598
  -150.0 -15.0 -1.30614
  -135.0 -15.0 -1.09555
  -120.0 -15.0 -0.64991
  -105.0 -15.0 -0.06482
  -90.0 -15.0 0.49509
  -75.0 -15.0 0.92103
  -60.0 -15.0 1.94755
  -45.0 -15.0 0.95164
  -30.0 -15.0 0.8787
  -15.0 -15.0 1.42479
  0.0 -15.0 2.06338
  15.0 -15.0 2.50243
  30.0 -15.0 2.59266
  45.0 -15.0 2.02131
  60.0 -15.0 1.26236
  75.0 -15.0 0.65759
  90.0 -15.0 0.60601
  105.0 -15.0 0.40777
  120.0 -15.0 0.08605
  135.0 -15.0 -0.02333
  150.0 -15.0 0.06947
  165.0 -15.0 0.13044
  180.0 -15.0 -0.06517
  -180.0 0.0 -1.44412
  -165.0 0.0 -1.37206
  -150.0 0.0 -0.97055
  -135.0 0.0 -0.54692
  -120.0 0.0 -0.04768
  -105.0 0.0 0.65462
  -90.0 0.0 1.09803
  -75.0 0.0 1.4118
  -60.0 0.0 1.23685
  -45.0 0.0 1.32368
  -30.0 0.0 1.83555
  -15.0 0.0 2.29146
  0.0 0.0 2.61632
  15.0 0.0 2.73204
  30.0 0.0 2.49607
  45.0 0.0 1.76205
  60.0 0.0 1.23208
  75.0 0.0 1.11843
  90.0 0.0 1.50389
  105.0 0.0 0.20088
  120.0 0.0 -0.22667
  135.0 0.0 -0.38306
  150.0 0.0 -0.27813
  165.0 0.0 -0.08165
  180.0 0.0 -1.44412
  -180.0 15.0 -1.54337
  -165.0 15.0 -0.94875
  -150.0 15.0 -0.4463
  -135.0 15.0 -0.06444
  -120.0 15.0 0.39675
  -105.0 15.0 0.90513
  -90.0 15.0 1.24019
  -75.0 15.0 1.18954
  -60.0 15.0 1.36753
  -45.0 15.0 1.8229
  -30.0 15.0 2.22229
  -15.0 15.0 2.44694
  0.0 15.0 2.44244
  15.0 15.0 2.26164
  30.0 15.0 1.85516
  45.0 15.0 1.56722
  60.0 15.0 1.43193
  75.0 15.0 0.71918
  90.0 15.0 0.14053
  105.0 15.0 -0.36429
  120.0 15.0 -0.76466
  135.0 15.0 -0.87217
  150.0 15.0 -0.57197
  165.0 15.0 -1.61569
  180.0 15.0 -1.54337
  -180.0 30.0 -1.09485
  -165.0 30.0 -0.56681
  -150.0 30.0 -0.13387
  -135.0 30.0 0.19412
  -120.0 30.0 0.57374
  -105.0 30.0 0.86366
  -90.0 30.0 0.80314
  -75.0 30.0 1.08125
  -60.0 30.0 1.39143
  -45.0 30.0 1.86048
  -30.0 30.0 2.01491
  -15.0 30.0 2.03904
  0.0 30.0 1.77856
  15.0 30.0 1.48754
  30.0 30.0 1.53762
  45.0 30.0 1.22766
  60.0 30.0 0.55347
  75.0 30.0 -0.06469
  90.0 30.0 -0.47099
  105.0 30.0 -0.82958
  120.0 30.0 -1.01883
  135.0 30.0 -0.75479
  150.0 30.0 -1.39221
  165.0 30.0 -1.55942
  180.0 30.0 -1.09485
  -180.0 45.0 -0.55882
  -165.0 45.0 -0.22825
  -150.0 45.0 0.01795
  -135.0 45.0 0.21896
  -120.0 45.0 0.49238
  -105.0 45.0 0.39403
  -90.0 45.0 0.4887
  -75.0 45.0 0.90318
  -60.0 45.0 1.0673
  -45.0 45.0 1.40576
  -30.0 45.0 1.504
  -15.0 45.0 1.39328
  0.0 45.0 1.13519
  15.0 45.0 1.11176
  30.0 45.0 0.55506
  45.0 45.0 0.04408
  60.0 45.0 -0.2593
  75.0 45.0 -0.42888
  90.0 45.0 -0.51963
  105.0 45.0 -0.55634
  120.0 45.0 -0.25212
  135.0 45.0 -0.62098
  150.0 45.0 -1.22694
  165.0 45.0 -1.05054
  180.0 45.0 -0.55882
  -180.0 60.0 -0.18285
  -165.0 60.0 -0.0865
  -150.0 60.0 0.00476
  -135.0 60.0 0.11545
  -120.0 60.0 0.16266
  -105.0 60.0 0.01161
  -90.0 60.0 0.39632
  -75.0 60.0 0.75519
  -60.0 60.0 0.96557
  -45.0 60.0 0.9764
  -30.0 60.0 0.97745
  -15.0 60.0 0.97978
  0.0 60.0 0.79555
  15.0 60.0 -0.15675
  30.0 60.0 -0.51647
  45.0 60.0 -0.39418
  60.0 60.0 -0.15303
  75.0 60.0 -0.008
  90.0 60.0 0.09982
  105.0 60.0 0.37002
  120.0 60.0 0.12378
  135.0 60.0 -0.63827
  150.0 60.0 -0.59589
  165.0 60.0 -0.38041
  180.0 60.0 -0.18285
  -180.0 75.0 -0.066
  -165.0 75.0 -0.07528
  -150.0 75.0 -0.04119
  -135.0 75.0 -0.07933
  -120.0 75.0 -0.19424
  -105.0 75.0 -0.27213
  -90.0 75.0 0.0
  -75.0 75.0 0.40627
  -60.0 75.0 0.67141
  -45.0 75.0 0.48954
  -30.0 75.0 0.49392
  -15.0 75.0 0.53926
  0.0 75.0 -0.43613
  15.0 75.0 -0.91296
  30.0 75.0 -0.57046
  45.0 75.0 0.20602
  60.0 75.0 0.66426
  75.0 75.0 0.78486
  90.0 75.0 0.83638
  105.0 75.0 0.47569
  120.0 75.0 -0.24156
  135.0 75.0 -0.36935
  150.0 75.0 -0.03276
  165.0 75.0 -0.00079
  180.0 75.0 -0.066
  -180.0 90.0 -0.19813
  -165.0 90.0 -0.18275
  -150.0 90.0 -0.13564
  -135.0 90.0 -0.16443
  -120.0 90.0 -0.25121
  -105.0 90.0 -0.36588
  -90.0 90.0 -0.30532
  -75.0 90.0 -0.05335
  -60.0 90.0 -0.11065
  -45.0 90.0 -0.24703
  -30.0 90.0 -0.35383
  -15.0 90.0 -0.66704
  0.0 90.0 -1.22785
  15.0 90.0 -0.99837
  30.0 90.0 0.07165
  45.0 90.0 1.1709
  60.0 90.0 1.52568
  75.0 90.0 1.19212
  90.0 90.0 0.65821
  105.0 90.0 0.07691
  120.0 90.0 -0.25244
  135.0 90.0 -0.10611
  150.0 90.0 0.09358
  165.0 90.0 0.00731
  180.0 90.0 -0.19813
  -180.0 105.0 -0.3485
  -165.0 105.0 -0.15035
  -150.0 105.0 -0.40367
  -135.0 105.0 -0.01197
  -120.0 105.0 -0.061
  -105.0 105.0 -0.1519
  -90.0 105.0 -0.31715
  -75.0 105.0 -0.62391
  -60.0 105.0 -0.90231
  -45.0 105.0 -1.37607
  -30.0 105.0 -1.62179
  -15.0 105.0 -1.73579
  0.0 105.0 -1.64875
  15.0 105.0 -0.75542
  30.0 105.0 0.71157
  45.0 105.0 1.26356
  60.0 105.0 0.7596
  75.0 105.0 0.594
  90.0 105.0 0.30667
  105.0 105.0 -0.06284
  120.0 105.0 -0.20456
  135.0 105.0 -0.08836
  150.0 105.0 -0.1659
  165.0 105.0 -0.35505
  180.0 105.0 -0.3485
  -180.0 120.0 -0.34576
  -165.0 120.0 0.02576
  -150.0 120.0 0.27228
  -135.0 120.0 0.28454
  -120.0 120.0 0.18375
  -105.0 120.0 0.01398
  -90.0 120.0 -0.27455
  -75.0 120.0 -0.7758
  -60.0 120.0 -1.42554
  -45.0 120.0 -1.99064
  -30.0 120.0 -2.37393
  -15.0 120.0 -2.20009
  0.0 120.0 -1.60683
  15.0 120.0 -0.44372
  30.0 120.0 1.09513
  45.0 120.0 0.35522
  60.0 120.0 -0.04151
  75.0 120.0 0.17766
  90.0 120.0 0.14305
  105.0 120.0 -0.13472
  120.0 120.0 -0.31725
  135.0 120.0 -0.458
  150.0 120.0 -0.64821
  165.0 120.0 -0.63355
  180.0 120.0 -0.34576
  -180.0 135.0 -0.08457
  -165.0 135.0 0.36013
  -150.0 135.0 0.54446
  -135.0 135.0 0.48098
  -120.0 135.0 0.27776
  -105.0 135.0 0.02335
  -90.0 135.0 -0.28766
  -75.0 135.0 -0.80414
  -60.0 135.0 -1.5133
  -45.0 135.0 -2.20028
  -30.0 135.0 -2.36835
  -15.0 135.0 -2.12483
  0.0 135.0 -1.376
  15.0 135.0 -0.25291
  30.0 135.0 0.78641
  45.0 135.0 -0.96321
  60.0 135.0 -0.57499
  75.0 135.0 -0.00398
  90.0 135.0 0.08668
  105.0 135.0 -0.17475
  120.0 135.0 -0.55212
  135.0 135.0 -0.94225
  150.0 135.0 -1.01661
  165.0 135.0 -0.69656
  180.0 135.0 -0.08457
  -180.0 150.0 0.2851
  -165.0 150.0 0.66185
  -150.0 150.0 0.69665
  -135.0 150.0 0.48378
  -120.0 150.0 0.16399
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