wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_c bad_ byst soft bac brea pred pred pred cons hbon hbon hbon hbond mis may may cost .5 r_b _ba .5 2 bic hain a_c pept roff _cla kbo k _alp _alp _alp trai d_ge d_ge d_ge _geom sin be_ be_ ack ck _fi ide shes ne_ ha2k ha04 ha06 nts om om_b om_b _beta g_a met ssb bon t cla ackb eta _pair tom al ond e she one s s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 2.0 5.0 5.0 10.0 5.0 20.0 2.0 50.0 2.0 2.0 2.0 10.0 5.0 10.0 50.0 100.0 1.0 0.5 1.0 T0302.try1-opt2.pdb.gz 7.7 7.5 7.6 43.5 57.3 47.6 17.5 2.7 -31.5 1.9 0.7 -0.4 1.1 0.0 0.7 -0.3 -0.4 -0.3 -5.4 -3.7 -5.7 -1.9 -1.1 0.0 0.0 0.0 145.14 T0302.try1-opt1.pdb.gz 7.8 7.5 7.6 44.2 58.5 48.2 17.5 2.8 -30.9 2.0 0.8 -0.4 1.1 0.0 1.2 -0.3 -0.3 -0.3 -5.2 -3.4 -5.6 -1.8 -1.0 0.0 0.0 0.0 149.89 T0302.try1-opt2.repack-n 7.9 7.5 7.6 44.4 59.0 48.2 17.5 2.7 -30.1 1.9 0.7 -0.4 1.1 0.0 0.7 -0.3 -0.4 -0.3 -5.3 -3.7 -5.7 -1.9 -1.1 0.0 0.0 0.0 150.05 T0302.try1-opt2.gromacs0 7.7 7.5 7.7 44.0 57.7 47.7 17.5 2.7 -28.6 1.0 1.7 -0.4 0.4 0.1 0.2 0.1 0.1 0.1 -5.3 -3.6 -5.6 -1.4 -0.9 0.0 0.0 0.0 150.38 T0302.try1-opt1-scwrl.pd 8.0 7.5 7.6 44.5 58.8 48.2 17.5 2.8 -31.0 2.0 0.8 -0.4 1.8 0.0 1.2 -0.3 -0.3 -0.3 -5.2 -3.4 -5.6 -1.8 -1.0 0.0 0.0 0.0 151.38