#
# Generated by TestAAcombiMolecule
#

#
# Number of peptides
#
param n := 10;

#
# The amino acids that are considered for each sidechain site
#
set ValidAminoAcids :=
(1,1)
(1,2)
(1,3)
(1,4)
(1,5)
(1,6)
(1,7)
(1,8)
(2,1)
(2,2)
(2,3)
(2,4)
(2,5)
(2,6)
(2,7)
(2,8)
(3,1)
(3,2)
(3,3)
(3,4)
(3,5)
(3,6)
(3,7)
(3,8)
(4,1)
(4,2)
(4,3)
(4,4)
(4,5)
(4,6)
(4,7)
(4,8)
(5,1)
(5,2)
(5,3)
(5,4)
(5,5)
(5,6)
(5,7)
(5,8)
(6,1)
(6,2)
(6,3)
(6,4)
(6,5)
(6,6)
(6,7)
(6,8)
(7,1)
(7,2)
(7,3)
(7,4)
(7,5)
(7,6)
(7,7)
(7,8)
(8,1)
(8,2)
(8,3)
(8,4)
(8,5)
(8,6)
(8,7)
(8,8)
(9,1)
(9,2)
(9,3)
(9,4)
(9,5)
(9,6)
(9,7)
(9,8)
(10,1)
(10,2)
(10,3)
(10,4)
(10,5)
(10,6)
(10,7)
(10,8)
;
#
# Boltzman Protein-Rotamer energies
#
param Energy_inter := [*,*]
3 1 -38.1123
3 2 -37.4933
3 3 -36.7474
3 4 -37.8139
3 5 -38.0607
3 6 -36.1814
3 7 -38.1371
3 8 -37.9813
4 1 -38.1123
4 2 -37.421
4 3 -37.1596
4 4 -37.2468
4 5 -38.3515
4 6 -38.4947
4 7 -36.8412
4 8 -37.3791
5 1 -38.1123
5 2 -37.2427
5 3 -38.4718
5 4 -36.933
5 5 -37.6558
5 6 -37.4348
5 7 -36.6768
5 8 -35.224
6 1 -38.1123
6 2 86.8962
6 3 -27.4924
6 4 -31.4114
6 5 -19.6662
6 6 -38.3197
6 7 2.301758
6 8 -23.2804
7 1 -38.1123
7 2 -39.935
7 3 -38.0496
7 4 -37.8528
7 5 -36.6919
7 6 -40.6189
7 7 -42.4664
7 8 -37.965
8 1 -38.1123
8 2 -35.1822
8 3 -36.2302
8 4 -37.1196
8 5 -37.186
8 6 -38.2191
8 7 -38.626
8 8 -37.3595
9 1 -38.1123
9 2 -35.1389
9 3 -35.4441
9 4 -35.4242
9 5 -28.0032
9 6 -37.6455
9 7 -31.3087
9 8 -29.6849
10 1 -38.1123
10 2 -42.3242
10 3 -40.445
10 4 -38.4182
10 5 -38.142
10 6 -39.3694
10 7 -40.3503
10 8 -38.1334
;
#
# Boltzman Rotamer-Rotamer Energies
#
param Energy_intra := [*,*,*,*]
3 1 4 1 -0.0281854
3 1 4 2 -0.150657
3 1 4 3 -0.0568241
3 1 4 4 -0.0371558
3 1 4 5 -0.122997
3 1 4 6 1.03707
3 1 4 7 -0.478435
3 1 4 8 -0.120033
3 1 5 1 -0.00658923
3 1 5 2 -0.0510418
3 1 5 3 -0.00473168
3 1 5 4 0.0413678
3 1 5 5 -0.0018854
3 1 5 6 -0.0145352
3 1 5 7 -0.034016
3 1 5 8 -0.0172419
3 1 6 1 0
3 1 6 2 -0.00197567
3 1 6 3 0.00323377
3 1 6 4 -7.6233e-21
3 1 6 5 -1.34678e-19
3 1 6 6 -0.00324134
3 1 6 7 -0.0245058
3 1 6 8 0
3 1 7 1 0
3 1 7 2 -1.71304e-17
3 1 7 3 1.61004e-17
3 1 7 4 -2.58582e-17
3 1 7 5 4.81316e-23
3 1 7 6 6.04443e-18
3 1 7 7 0.00103743
3 1 7 8 7.81686e-23
3 1 8 1 0
3 1 8 2 -2.76472e-17
3 1 8 3 8.40257e-18
3 1 8 4 -1.80249e-17
3 1 8 5 4.58075e-18
3 1 8 6 -1.20889e-17
3 1 8 7 -9.44442e-20
3 1 8 8 -1.14925e-17
3 1 9 1 0
3 1 9 2 2.2199e-17
3 1 9 3 5.82904e-24
3 1 9 4 -5.23128e-18
3 1 9 5 7.64363e-18
3 1 9 6 -2.39287e-19
3 1 9 7 0
3 1 9 8 7.10152e-18
3 1 10 1 0
3 1 10 2 -1.08791e-20
3 1 10 3 1.2387e-17
3 1 10 4 1.37423e-17
3 1 10 5 6.87113e-18
3 1 10 6 4.04882e-19
3 1 10 7 1.11799e-24
3 1 10 8 2.56143e-17
3 2 4 1 -0.0819062
3 2 4 2 0.52916
3 2 4 3 -0.469801
3 2 4 4 -1.25102
3 2 4 5 -0.427354
3 2 4 6 0.84136
3 2 4 7 -2.30063
3 2 4 8 -0.640705
3 2 5 1 -0.00207843
3 2 5 2 0.00945221
3 2 5 3 -0.137499
3 2 5 4 -0.189456
3 2 5 5 -0.00461337
3 2 5 6 0.0342804
3 2 5 7 0.0283142
3 2 5 8 0.0162358
3 2 6 1 -6.61363e-18
3 2 6 2 0.00200029
3 2 6 3 -6.95795e-18
3 2 6 4 -0.067392
3 2 6 5 -6.74831e-18
3 2 6 6 0.00373686
3 2 6 7 -0.0280647
3 2 6 8 -6.61363e-18
3 2 7 1 -6.61363e-18
3 2 7 2 -2.3744e-17
3 2 7 3 9.48677e-18
3 2 7 4 -3.24719e-17
3 2 7 5 -6.61359e-18
3 2 7 6 -5.69206e-19
3 2 7 7 2.43945e-19
3 2 7 8 -6.61356e-18
3 2 8 1 -6.61363e-18
3 2 8 2 -3.42608e-17
3 2 8 3 1.78893e-18
3 2 8 4 -2.46385e-17
3 2 8 5 -2.03288e-18
3 2 8 6 -1.87025e-17
3 2 8 7 -6.70808e-18
3 2 8 8 -1.81062e-17
3 2 9 1 -6.61363e-18
3 2 9 2 1.55854e-17
3 2 9 3 -6.61363e-18
3 2 9 4 -1.18449e-17
3 2 9 5 1.02999e-18
3 2 9 6 -6.85292e-18
3 2 9 7 -6.61363e-18
3 2 9 8 4.87891e-19
3 2 10 1 -6.61363e-18
3 2 10 2 -6.62451e-18
3 2 10 3 5.77338e-18
3 2 10 4 7.12863e-18
3 2 10 5 2.57498e-19
3 2 10 6 -6.20875e-18
3 2 10 7 -6.61363e-18
3 2 10 8 1.90006e-17
3 3 4 1 -0.0422098
3 3 4 2 -0.545511
3 3 4 3 -0.0630879
3 3 4 4 -0.183757
3 3 4 5 -0.228845
3 3 4 6 0.788208
3 3 4 7 -1.15138
3 3 4 8 -0.395836
3 3 5 1 -0.000628765
3 3 5 2 -0.00392489
3 3 5 3 -0.279912
3 3 5 4 -0.304193
3 3 5 5 -0.0894552
3 3 5 6 0.0184404
3 3 5 7 -0.247576
3 3 5 8 -0.0873471
3 3 6 1 1.97867e-17
3 3 6 2 -0.00336927
3 3 6 3 -0.0650556
3 3 6 4 0.0785077
3 3 6 5 1.9652e-17
3 3 6 6 0.00520018
3 3 6 7 -0.209881
3 3 6 8 1.97867e-17
3 3 7 1 1.97867e-17
3 3 7 2 2.6563e-18
3 3 7 3 3.58871e-17
3 3 7 4 -6.07153e-18
3 3 7 5 1.97867e-17
3 3 7 6 2.58311e-17
3 3 7 7 0.00135101
3 3 7 8 1.97868e-17
3 3 8 1 1.97867e-17
3 3 8 2 -7.86047e-18
3 3 8 3 2.81893e-17
3 3 8 4 1.76183e-18
3 3 8 5 2.43674e-17
3 3 8 6 7.69784e-18
3 3 8 7 1.96922e-17
3 3 8 8 8.29415e-18
3 3 9 1 1.97867e-17
3 3 9 2 4.19857e-17
3 3 9 3 1.97867e-17
3 3 9 4 1.45554e-17
3 3 9 5 2.74303e-17
3 3 9 6 1.95474e-17
3 3 9 7 1.97867e-17
3 3 9 8 2.68882e-17
3 3 10 1 1.97867e-17
3 3 10 2 1.97758e-17
3 3 10 3 3.21737e-17
3 3 10 4 3.3529e-17
3 3 10 5 2.66578e-17
3 3 10 6 2.01916e-17
3 3 10 7 1.97867e-17
3 3 10 8 4.5401e-17
3 4 4 1 -0.0313896
3 4 4 2 -1.60037
3 4 4 3 -0.0884728
3 4 4 4 0.673384
3 4 4 5 -0.155583
3 4 4 6 0.0881167
3 4 4 7 -0.59334
3 4 4 8 -0.0467651
3 4 5 1 -0.000657132
3 4 5 2 0.00763771
3 4 5 3 -0.00278542
3 4 5 4 -0.213565
3 4 5 5 -0.238606
3 4 5 6 -0.037138
3 4 5 7 -0.469477
3 4 5 8 -0.457413
3 4 6 1 -3.82181e-18
3 4 6 2 -0.00150717
3 4 6 3 -0.00985288
3 4 6 4 0.0306625
3 4 6 5 -3.95649e-18
3 4 6 6 -0.00346148
3 4 6 7 -0.226916
3 4 6 8 -3.82181e-18
3 4 7 1 -3.82181e-18
3 4 7 2 -2.09522e-17
3 4 7 3 1.22786e-17
3 4 7 4 -2.968e-17
3 4 7 5 -3.82176e-18
3 4 7 6 2.22261e-18
3 4 7 7 -0.000213949
3 4 7 8 -3.82173e-18
3 4 8 1 -3.82181e-18
3 4 8 2 -3.1469e-17
3 4 8 3 4.58075e-18
3 4 8 4 -2.18467e-17
3 4 8 5 7.58942e-19
3 4 8 6 -1.59107e-17
3 4 8 7 -3.91626e-18
3 4 8 8 -1.53144e-17
3 4 9 1 -3.82181e-18
3 4 9 2 1.83772e-17
3 4 9 3 -3.82181e-18
3 4 9 4 -9.05309e-18
3 4 9 5 3.82181e-18
3 4 9 6 -4.0611e-18
3 4 9 7 -3.82181e-18
3 4 9 8 3.27971e-18
3 4 10 1 -3.82181e-18
3 4 10 2 -3.83269e-18
3 4 10 3 8.5652e-18
3 4 10 4 9.92045e-18
3 4 10 5 3.04932e-18
3 4 10 6 -3.41693e-18
3 4 10 7 -3.82181e-18
3 4 10 8 2.17925e-17
3 5 4 1 -0.0325485
3 5 4 2 -0.371604
3 5 4 3 -0.0894755
3 5 4 4 -0.164216
3 5 4 5 -0.234698
3 5 4 6 0.444474
3 5 4 7 -1.54244
3 5 4 8 -0.332134
3 5 5 1 -0.00154171
3 5 5 2 -0.00174347
3 5 5 3 -0.101637
3 5 5 4 -0.221846
3 5 5 5 -0.0377631
3 5 5 6 -0.00453206
3 5 5 7 -0.0494329
3 5 5 8 0.0022412
3 5 6 1 7.6233e-19
3 5 6 2 0.000407988
3 5 6 3 0.0229256
3 5 6 4 7.54706e-19
3 5 6 5 6.27651e-19
3 5 6 6 0.00061095
3 5 6 7 -0.00962206
3 5 6 8 7.6233e-19
3 5 7 1 7.6233e-19
3 5 7 2 -1.63681e-17
3 5 7 3 1.68627e-17
3 5 7 4 -2.50959e-17
3 5 7 5 7.62378e-19
3 5 7 6 6.80676e-18
3 5 7 7 0.000500652
3 5 7 8 7.62408e-19
3 5 8 1 7.6233e-19
3 5 8 2 -2.68848e-17
3 5 8 3 9.1649e-18
3 5 8 4 -1.72625e-17
3 5 8 5 5.34308e-18
3 5 8 6 -1.13265e-17
3 5 8 7 6.67885e-19
3 5 8 8 -1.07302e-17
3 5 9 1 7.6233e-19
3 5 9 2 2.29614e-17
3 5 9 3 7.62335e-19
3 5 9 4 -4.46895e-18
3 5 9 5 8.40595e-18
3 5 9 6 5.23043e-19
3 5 9 7 7.6233e-19
3 5 9 8 7.86385e-18
3 5 10 1 7.6233e-19
3 5 10 2 7.51451e-19
3 5 10 3 1.31493e-17
3 5 10 4 1.45046e-17
3 5 10 5 7.63346e-18
3 5 10 6 1.16721e-18
3 5 10 7 7.62331e-19
3 5 10 8 2.63766e-17
3 6 4 1 -0.119067
3 6 4 2 0.171773
3 6 4 3 -0.382197
3 6 4 4 -0.747353
3 6 4 5 -0.728099
3 6 4 6 2.90963
3 6 4 7 -1.76607
3 6 4 8 -0.71515
3 6 5 1 -0.00713795
3 6 5 2 0.0189062
3 6 5 3 -0.0732259
3 6 5 4 -0.129632
3 6 5 5 -0.0160372
3 6 5 6 0.0238295
3 6 5 7 -0.00430229
3 6 5 8 -0.017627
3 6 6 1 -0.00216954
3 6 6 2 0.0139591
3 6 6 3 -0.000492
3 6 6 4 -0.0661517
3 6 6 5 -0.000105473
3 6 6 6 0.00743909
3 6 6 7 0.00619484
3 6 6 8 0.000934863
3 6 7 1 -1.1086e-17
3 6 7 2 -2.82164e-17
3 6 7 3 5.01444e-18
3 6 7 4 -3.69442e-17
3 6 7 5 -1.10859e-17
3 6 7 6 0.00115404
3 6 7 7 0.00823187
3 6 7 8 -0.00967516
3 6 8 1 -1.1086e-17
3 6 8 2 -3.87331e-17
3 6 8 3 -2.6834e-18
3 6 8 4 -2.91108e-17
3 6 8 5 -6.50521e-18
3 6 8 6 -2.31748e-17
3 6 8 7 -1.11804e-17
3 6 8 8 -2.25785e-17
3 6 9 1 -1.1086e-17
3 6 9 2 1.11131e-17
3 6 9 3 -1.1086e-17
3 6 9 4 -1.63172e-17
3 6 9 5 -3.44234e-18
3 6 9 6 -1.13253e-17
3 6 9 7 -1.1086e-17
3 6 9 8 -3.98444e-18
3 6 10 1 -1.1086e-17
3 6 10 2 -1.10968e-17
3 6 10 3 1.30104e-18
3 6 10 4 2.6563e-18
3 6 10 5 -4.21484e-18
3 6 10 6 -1.06811e-17
3 6 10 7 -1.1086e-17
3 6 10 8 1.45283e-17
3 7 4 1 -0.0434642
3 7 4 2 -0.287252
3 7 4 3 -0.110909
3 7 4 4 -0.259183
3 7 4 5 -0.375432
3 7 4 6 0.228907
3 7 4 7 -1.8327
3 7 4 8 -0.523437
3 7 5 1 -0.00370366
3 7 5 2 -0.00408455
3 7 5 3 -0.108572
3 7 5 4 -0.231105
3 7 5 5 -0.0199733
3 7 5 6 -0.00932806
3 7 5 7 -0.0124458
3 7 5 8 -0.00271796
3 7 6 1 6.11558e-19
3 7 6 2 0.00934249
3 7 6 3 0.0598949
3 7 6 4 -0.115393
3 7 6 5 4.7688e-19
3 7 6 6 0.00838625
3 7 6 7 -0.0348996
3 7 6 8 6.11558e-19
3 7 7 1 6.11558e-19
3 7 7 2 -1.65188e-17
3 7 7 3 1.6712e-17
3 7 7 4 -2.52467e-17
3 7 7 5 6.11606e-19
3 7 7 6 6.65598e-18
3 7 7 7 0.0005712
3 7 7 8 6.11636e-19
3 7 8 1 6.11558e-19
3 7 8 2 -2.70356e-17
3 7 8 3 9.01412e-18
3 7 8 4 -1.74133e-17
3 7 8 5 5.19231e-18
3 7 8 6 -1.14773e-17
3 7 8 7 5.17114e-19
3 7 8 8 -1.0881e-17
3 7 9 1 6.11558e-19
3 7 9 2 2.28106e-17
3 7 9 3 6.11564e-19
3 7 9 4 -4.61972e-18
3 7 9 5 8.25518e-18
3 7 9 6 3.72271e-19
3 7 9 7 6.11558e-19
3 7 9 8 7.71308e-18
3 7 10 1 6.11558e-19
3 7 10 2 6.00679e-19
3 7 10 3 1.29986e-17
3 7 10 4 1.43538e-17
3 7 10 5 7.48269e-18
3 7 10 6 1.01644e-18
3 7 10 7 6.11559e-19
3 7 10 8 2.62258e-17
3 8 4 1 -0.0948513
3 8 4 2 -0.38332
3 8 4 3 -0.334142
3 8 4 4 -0.336152
3 8 4 5 -0.406403
3 8 4 6 0.793673
3 8 4 7 -1.79059
3 8 4 8 -0.604835
3 8 5 1 -0.00182522
3 8 5 2 0.0157905
3 8 5 3 -0.111459
3 8 5 4 -0.282822
3 8 5 5 -0.0410927
3 8 5 6 -0.00999843
3 8 5 7 -0.0227287
3 8 5 8 -0.0318365
3 8 6 1 2.62919e-18
3 8 6 2 0.000471034
3 8 6 3 0.0103767
3 8 6 4 2.62157e-18
3 8 6 5 2.49451e-18
3 8 6 6 0.00168408
3 8 6 7 -0.0405043
3 8 6 8 2.62919e-18
3 8 7 1 2.62919e-18
3 8 7 2 -1.45012e-17
3 8 7 3 1.87296e-17
3 8 7 4 -2.3229e-17
3 8 7 5 2.62924e-18
3 8 7 6 8.67362e-18
3 8 7 7 9.48677e-18
3 8 7 8 2.62927e-18
3 8 8 1 2.62919e-18
3 8 8 2 -2.5018e-17
3 8 8 3 1.10318e-17
3 8 8 4 -1.53957e-17
3 8 8 5 7.20994e-18
3 8 8 6 -9.45966e-18
3 8 8 7 2.53475e-18
3 8 8 8 -8.86335e-18
3 8 9 1 2.62919e-18
3 8 9 2 2.48282e-17
3 8 9 3 2.6292e-18
3 8 9 4 -2.60209e-18
3 8 9 5 1.02728e-17
3 8 9 6 2.3899e-18
3 8 9 7 2.62919e-18
3 8 9 8 9.73071e-18
3 8 10 1 2.62919e-18
3 8 10 2 2.61831e-18
3 8 10 3 1.50162e-17
3 8 10 4 1.63715e-17
3 8 10 5 9.50032e-18
3 8 10 6 3.03407e-18
3 8 10 7 2.62919e-18
3 8 10 8 2.82435e-17
4 1 5 1 -0.0305254
4 1 5 2 -0.286698
4 1 5 3 -0.0503065
4 1 5 4 -0.0437237
4 1 5 5 -0.0975006
4 1 5 6 0.0445649
4 1 5 7 -0.110574
4 1 5 8 -0.113287
4 1 6 1 -0.00252869
4 1 6 2 -0.00400644
4 1 6 3 -0.0120195
4 1 6 4 0.0361999
4 1 6 5 -0.00616175
4 1 6 6 -0.0141501
4 1 6 7 -0.00200984
4 1 6 8 0.00390137
4 1 7 1 0.0169104
4 1 7 2 0.0290222
4 1 7 3 0.0470821
4 1 7 4 0.0234018
4 1 7 5 -0.0171245
4 1 7 6 0.000703115
4 1 7 7 -0.0229749
4 1 7 8 0.00187177
4 1 8 1 0
4 1 8 2 -2.76472e-17
4 1 8 3 8.40257e-18
4 1 8 4 -1.80249e-17
4 1 8 5 -0.000694495
4 1 8 6 0.000922008
4 1 8 7 0.0029211
4 1 8 8 -0.0117756
4 1 9 1 0
4 1 9 2 2.2199e-17
4 1 9 3 5.82904e-24
4 1 9 4 -5.23128e-18
4 1 9 5 7.64363e-18
4 1 9 6 -2.39287e-19
4 1 9 7 0
4 1 9 8 7.10152e-18
4 1 10 1 0
4 1 10 2 -1.08791e-20
4 1 10 3 1.2387e-17
4 1 10 4 1.37423e-17
4 1 10 5 6.87113e-18
4 1 10 6 4.04882e-19
4 1 10 7 1.11799e-24
4 1 10 8 2.56143e-17
4 2 5 1 -0.0556387
4 2 5 2 0.102725
4 2 5 3 -0.960917
4 2 5 4 -1.2255
4 2 5 5 -0.240772
4 2 5 6 0.069678
4 2 5 7 -0.155578
4 2 5 8 -0.135818
4 2 6 1 -0.0513154
4 2 6 2 0.0873354
4 2 6 3 -0.673144
4 2 6 4 -0.0663427
4 2 6 5 -0.00084052
4 2 6 6 0.0274579
4 2 6 7 -0.0537448
4 2 6 8 0.00185958
4 2 7 1 -0.0125898
4 2 7 2 0.0686517
4 2 7 3 -1.18821
4 2 7 4 -1.78682
4 2 7 5 -0.260155
4 2 7 6 0.0741896
4 2 7 7 -0.0535194
4 2 7 8 -0.39476
4 2 8 1 -1.33831e-19
4 2 8 2 0.00871406
4 2 8 3 8.26874e-18
4 2 8 4 -1.81587e-17
4 2 8 5 0.00247104
4 2 8 6 0.00180443
4 2 8 7 -0.00219086
4 2 8 8 0.00123765
4 2 9 1 -1.33831e-19
4 2 9 2 2.20652e-17
4 2 9 3 -1.33825e-19
4 2 9 4 -5.36511e-18
4 2 9 5 7.50979e-18
4 2 9 6 -3.73118e-19
4 2 9 7 -1.33831e-19
4 2 9 8 6.96769e-18
4 2 10 1 -1.33831e-19
4 2 10 2 -1.4471e-19
4 2 10 3 1.22532e-17
4 2 10 4 1.36084e-17
4 2 10 5 6.7373e-18
4 2 10 6 2.71051e-19
4 2 10 7 -1.3383e-19
4 2 10 8 2.54804e-17
4 3 5 1 -0.0504806
4 3 5 2 -0.750665
4 3 5 3 -0.493128
4 3 5 4 -0.0359869
4 3 5 5 -0.240613
4 3 5 6 -0.183439
4 3 5 7 -0.564656
4 3 5 8 -0.25449
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;