# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 8 * sidechain + 8 * bystroff + 100 * soft_clashes + 2 * backbone_clashes + 300 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit n_ca_c bad_peptide sidechain bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair missing_atoms cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0291.try4-opt2.pdb.gz 310 0.5145 1.6047 1.6280 3.1036 3.0936 3.2603 3.4926 0.4869 0.2633 0.0694 -5.6721 -0.1888 0.0193 0.0032 0.0096 0.4225 0.2824 0.2870 -0.5962 -0.4189 -0.1018 -0.0740 0.0000 145.7571 T0291.try4-opt1.pdb.gz 310 0.5149 1.6052 1.6283 3.1101 3.0984 3.2548 3.4834 0.4945 0.2729 0.0691 -5.5889 -0.1812 0.0288 0.0032 0.0101 0.4516 0.3084 0.3146 -0.5943 -0.4159 -0.1025 -0.0742 0.0000 148.0742 T0291.try3-opt2.pdb.gz 310 0.5174 1.6027 1.6325 3.1049 3.0935 3.2504 3.4792 0.4899 0.2775 0.0700 -5.5726 -0.1744 0.0400 0.0032 0.0113 0.4330 0.2879 0.2936 -0.6067 -0.4162 -0.1030 -0.0737 0.0000 149.3202 T0291.try4-opt2.repack-nonPC.pdb.gz 310 0.5161 1.6047 1.6280 3.1793 3.1441 3.2839 3.4928 0.4944 0.2633 0.0694 -5.4959 -0.1888 0.0237 0.0032 0.0096 0.4225 0.2824 0.2870 -0.5973 -0.4189 -0.1018 -0.0740 0.0000 150.1397 T0291.try3-opt2.repack-nonPC.pdb.gz 310 0.5184 1.6027 1.6325 3.1835 3.1282 3.2885 3.4955 0.4897 0.2775 0.0700 -5.4487 -0.1744 0.0278 0.0032 0.0113 0.4330 0.2879 0.2936 -0.6105 -0.4162 -0.1030 -0.0737 0.0000 151.6117 T0291.try4-opt2.gromacs0.pdb.gz 310 0.5147 1.6148 1.6413 3.1345 3.1134 3.2657 3.4917 0.4839 0.1753 0.1909 -5.0539 -0.1506 0.0058 0.0032 0.0015 0.6855 0.5091 0.5366 -0.6082 -0.4094 -0.1001 -0.0737 0.0000 152.9501 T0291.try3-opt1.pdb.gz 310 0.5184 1.6026 1.6314 3.1127 3.0999 3.2593 3.4799 0.4723 0.2899 0.0682 -5.3814 -0.1562 0.0577 0.0065 0.0099 0.4624 0.3176 0.3231 -0.5820 -0.4078 -0.1021 -0.0728 0.0000 153.4887 T0291.try3-opt2.gromacs0.pdb.gz 310 0.5174 1.6116 1.6428 3.1341 3.1097 3.2557 3.4794 0.4875 0.1694 0.1877 -5.0138 -0.1389 0.0133 0.0032 0.0017 0.6803 0.5038 0.5330 -0.6122 -0.4074 -0.1025 -0.0740 0.0000 153.5726 T0291.try2-opt2.repack-nonPC.pdb.gz 310 0.5151 1.6057 1.6302 3.1885 3.1554 3.2940 3.4907 0.5420 0.2975 0.0679 -5.3025 -0.1424 0.0317 0.0194 0.0103 0.5225 0.3699 0.3847 -0.5785 -0.4106 -0.1027 -0.0726 0.0000 155.4397 T0291.try2-opt2.pdb.gz 310 0.5166 1.6057 1.6302 3.1252 3.1105 3.2682 3.4812 0.5403 0.2975 0.0679 -5.2695 -0.1424 0.0557 0.0194 0.0103 0.5225 0.3699 0.3847 -0.5890 -0.4106 -0.1027 -0.0726 0.0000 155.7886 T0291.try2-opt2.gromacs0.pdb.gz 310 0.5177 1.6107 1.6394 3.1304 3.1229 3.2711 3.4845 0.5379 0.1717 0.1884 -4.9329 -0.1183 0.0215 0.0065 0.0099 0.6760 0.5024 0.5333 -0.5958 -0.4084 -0.1020 -0.0736 0.0000 158.3857 T0291.try1-opt2.repack-nonPC.pdb.gz 310 0.5283 1.6439 1.6583 3.1067 3.0464 3.2421 3.4695 0.5664 0.3020 0.1311 -5.1925 -0.1667 0.0866 0.0548 0.0279 0.4050 0.3031 0.3033 -0.6064 -0.4275 -0.1165 -0.0768 0.0000 162.1125 T0291.try2-opt1.pdb.gz 310 0.5175 1.6145 1.6307 3.1529 3.1520 3.2923 3.4909 0.5760 0.2975 0.0622 -5.0454 -0.1275 0.0939 0.0161 0.0081 0.5971 0.4319 0.4505 -0.5515 -0.3968 -0.1012 -0.0682 0.0000 164.1687 T0291.try1-opt2.gromacs0.pdb.gz 310 0.5138 1.6500 1.6752 3.0876 3.0210 3.2234 3.4611 0.5579 0.1774 0.2162 -4.4128 -0.1230 0.0395 0.0355 0.0214 0.6740 0.5535 0.5879 -0.5835 -0.4128 -0.1125 -0.0754 0.0000 165.0554 T0291.try1-opt2.pdb.gz 310 0.5126 1.6439 1.6583 3.0727 3.0015 3.2154 3.4600 0.5561 0.3020 0.1311 -5.2622 -0.1667 0.1469 0.0548 0.0279 0.4050 0.3031 0.3033 -0.5747 -0.4275 -0.1165 -0.0768 0.0000 165.6360 T0291.try4-opt1-scwrl.pdb.gz 310 0.5193 1.6052 1.6283 3.1620 3.1505 3.2842 3.4955 0.4767 0.2729 0.0691 -5.5871 -0.1812 0.2284 0.0032 0.0101 0.4516 0.3084 0.3146 -0.5696 -0.4159 -0.1025 -0.0742 0.0000 170.5265 T0291.try3-opt1-scwrl.pdb.gz 310 0.5215 1.6026 1.6314 3.1567 3.1507 3.2877 3.4923 0.4636 0.2899 0.0682 -5.4526 -0.1562 0.2450 0.0065 0.0099 0.4624 0.3176 0.3231 -0.5601 -0.4078 -0.1021 -0.0728 0.0000 173.9535 T0291.try2-opt1-scwrl.pdb.gz 310 0.5156 1.6145 1.6307 3.1645 3.1779 3.3033 3.4960 0.5798 0.2975 0.0622 -5.1323 -0.1275 0.2382 0.0161 0.0081 0.5971 0.4319 0.4505 -0.5701 -0.3968 -0.1012 -0.0682 0.0000 178.6655 T0291.try1-opt1.pdb.gz 310 0.5202 1.6424 1.6728 3.1079 3.0530 3.2363 3.4645 0.5387 0.2851 0.1367 -5.0880 -0.1361 0.2131 0.0484 0.0314 0.4723 0.3540 0.3691 -0.5493 -0.4122 -0.1101 -0.0678 0.0000 179.1394 T0291.try1-opt1-scwrl.pdb.gz 310 0.5298 1.6424 1.6728 3.1141 3.0544 3.2563 3.4708 0.5456 0.2851 0.1367 -5.3307 -0.1361 0.3230 0.0484 0.0314 0.4723 0.3540 0.3691 -0.5491 -0.4122 -0.1101 -0.0678 0.0000 188.8088