# 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 T0371.try1-opt2.pdb.gz 283 0.5447 1.7844 1.7704 3.0445 3.0569 3.2559 3.4644 0.8413 -5.1107 0.4216 0.1292 -0.1229 0.2985 0.0424 0.0871 0.2773 0.3167 0.3762 5.9030 -0.5442 -0.4072 -0.1386 -0.1177 0.0000 0.0000 0.0000 223.7106 T0371.try1-opt2.repack-nonPC.pdb.gz 283 0.5440 1.7844 1.7704 3.0983 3.0750 3.2807 3.4721 0.8707 -4.6233 0.4216 0.1292 -0.1229 0.1438 0.0424 0.0871 0.2773 0.3167 0.3762 5.9084 -0.5831 -0.4072 -0.1386 -0.1177 0.0000 0.0000 0.0000 224.5399 T0371.try1-opt2.gromacs0.pdb.gz 283 0.5444 1.7886 1.7939 3.0736 3.0740 3.2768 3.4673 0.8404 -3.3677 0.4336 0.2562 -0.0507 0.0638 0.0318 0.0611 0.8790 0.9870 1.0585 5.9478 -0.5388 -0.3892 -0.1283 -0.1041 0.0000 0.0000 0.0000 235.7811 T0371.try1-opt1.pdb.gz 283 0.5468 1.7888 1.7859 3.1153 3.0914 3.2874 3.4687 0.8582 -4.9390 0.3818 0.1104 -0.0880 0.4030 0.0601 0.0713 0.5142 0.5395 0.5952 6.2842 -0.5092 -0.3843 -0.1223 -0.1005 0.0000 0.0000 0.0000 236.2184 T0371.try1-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5452 1.7886 1.7939 3.0874 3.0683 3.2858 3.4739 0.8680 -3.2290 0.4336 0.2562 -0.0507 0.0470 0.0318 0.0611 0.8790 0.9870 1.0585 5.9474 -0.5474 -0.3892 -0.1283 -0.1041 0.0000 0.0000 0.0000 236.4205 T0371.try1-opt1-scwrl.pdb.gz 283 0.5425 1.7888 1.7859 3.1490 3.0939 3.2963 3.4743 0.8714 -5.0735 0.3818 0.1104 -0.0880 0.5190 0.0601 0.0713 0.5142 0.5395 0.5952 6.2854 -0.5271 -0.3843 -0.1223 -0.1005 0.0000 0.0000 0.0000 238.4654