# 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 + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 0.5 * maybe_metal + 1 * maybe_ssbond ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit sidechain n_ca_c bad_peptide bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 constraints hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair missing_atoms maybe_metal maybe_ssbond 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 10N 10N 10N T0356.try1-opt2.pdb.gz 505 0.4832 1.7506 1.7740 3.3857 3.6394 4.0168 4.1393 4.6734 -4.9205 0.2828 0.1391 -0.2678 0.5122 0.2139 0.0655 1.8503 1.8126 1.8270 17.1719 -0.2490 -0.1725 -0.0038 0.0000 0.0000 0.0000 0.0000 409.0880 T0356.try1-opt2.repack-nonPC.pdb.gz 505 0.4854 1.7506 1.7740 3.4748 3.7034 4.0381 4.1486 4.7022 -4.8352 0.2828 0.1391 -0.2678 0.4862 0.2139 0.0655 1.8503 1.8126 1.8270 17.1802 -0.2382 -0.1725 -0.0038 0.0000 0.0000 0.0000 0.0000 412.2061 T0356.try1-opt2.gromacs0.pdb.gz 505 0.4826 1.7627 1.7728 3.3963 3.6397 4.0272 4.1404 4.6789 -3.6739 0.7392 0.2784 -0.2665 0.1534 0.1505 0.0898 1.8338 1.8058 1.8172 17.2348 -0.2549 -0.1635 -0.0035 0.0000 0.0000 0.0000 0.0000 413.9373 T0356.try1-opt1.pdb.gz 505 0.4899 1.7543 1.7795 3.4645 3.7026 4.0319 4.1579 4.6827 -4.9837 0.2826 0.1384 -0.2681 0.6579 0.2139 0.0655 1.8479 1.8110 1.8270 17.1726 -0.2401 -0.1724 -0.0038 0.0000 0.0000 0.0000 0.0000 414.6511 T0356.try1-opt1-scwrl.pdb.gz 505 0.4920 1.7543 1.7795 3.5508 3.7501 4.0390 4.1673 4.6928 -5.2257 0.2826 0.1384 -0.2681 0.7862 0.2139 0.0655 1.8479 1.8110 1.8270 17.1749 -0.2260 -0.1724 -0.0038 0.0000 0.0000 0.0000 0.0000 418.5499