# 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 + 8 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 40 * soft_clashes + 2 * backbone_clashes + 100 * break + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair ) 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 constraints hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0284.try1-opt2.pdb.gz 574 0.4964 1.8143 1.8112 3.0150 3.0272 3.2958 3.4936 4.8348 -5.2007 0.4163 0.1090 -0.1502 0.1197 0.0401 0.0338 -0.6358 -0.5787 -0.4472 -0.1003 -0.0773 150.5151 T0284.try1-opt1.pdb.gz 574 0.4956 1.8018 1.8132 3.0429 3.0552 3.3178 3.5250 5.3016 -5.0911 0.4337 0.1079 -0.1522 0.1516 0.0348 0.0338 -0.6223 -0.5626 -0.4421 -0.1013 -0.0766 155.3402 T0284.try1-opt2.gromacs0.pdb.gz 574 0.4985 1.8175 1.8224 3.0331 3.0301 3.3072 3.4969 4.8356 -4.2216 0.2427 0.2195 -0.1294 0.0324 0.0157 0.0299 -0.6159 -0.5898 -0.4393 -0.0961 -0.0760 155.9436 T0284.try1-opt1-scwrl.pdb.gz 574 0.5076 1.8018 1.8132 3.0887 3.0768 3.3514 3.5311 5.3241 -5.4537 0.4337 0.1079 -0.1522 0.3226 0.0348 0.0338 0.2010 -0.5402 -0.4421 -0.1013 -0.0766 169.5062 T0284.try1-opt2.repack-nonPC.pdb.gz 574 0.5040 1.8143 1.8112 3.0562 3.0465 3.3271 3.5017 4.8971 -4.8899 0.4163 0.1090 -0.1502 0.0724 0.0401 0.0338 4.4864 -0.5825 -0.4472 -0.1003 -0.0773 204.0606 dimer-1mumA-from-chimera-try3-1zlpA.pdb.gz 574 0.5330 1.8420 1.8723 3.2030 3.1776 3.2431 3.4591 1.0019 -4.7572 0.4541 0.1712 -0.1261 0.6513 0.1045 0.4071 -0.5576 -0.5231 -0.4111 -0.1015 -0.0790 213.0968