wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_c bad_ byst soft bac brea pre pre pre cons hbon hbon hbon hbond mis mayb may cost .5 r_b _ba .5 2 bic hain a_c pept roff _cla kbo k d_a d_a d_a trai d_ge d_ge d_ge _geom sin e_me be_ ack ck _fi ide shes ne_ lph lph lph nts om om_b om_b _beta g_a tal ssb bon t cla a2k a04 a06 ackb eta _pair tom 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 T0329.try2-opt2.pdb.gz 8.1 8.4 8.7 45.2 59.7 49.9 17.8 2.2 -26.0 1.6 1.1 -0.0 4.3 0.1 2.9 0.2 0.1 0.1 -1.9 -2.9 -4.6 -4.9 -8.1 0.0 -0.3 0.0 161.72 T0329.try2-opt2.repack-n 8.3 8.4 8.7 46.1 61.0 50.5 17.9 2.2 -24.7 1.6 1.1 -0.0 2.7 0.1 2.9 0.2 0.1 0.1 -1.8 -2.9 -4.6 -4.9 -8.1 0.0 -0.3 0.0 164.74 T0329.try2-opt1.pdb.gz 8.3 8.4 8.8 46.3 60.5 50.5 17.9 2.2 -24.5 1.6 1.1 0.1 5.7 0.1 2.6 0.7 0.7 0.8 -1.5 -2.9 -4.5 -4.9 -7.8 0.0 0.0 0.0 170.24 T0329.try2-opt2.gromacs0 8.1 8.4 8.8 45.6 60.2 50.1 17.9 2.2 -19.0 1.3 2.4 -0.0 1.0 0.0 2.1 1.2 1.3 1.3 -1.7 -2.9 -4.7 -4.8 -8.0 0.0 0.0 0.0 170.91 T0329.try2-opt1-scwrl.pd 8.3 8.4 8.8 46.6 61.0 50.7 17.9 2.2 -26.3 1.6 1.1 0.1 7.8 0.1 2.6 0.7 0.7 0.8 -1.5 -2.9 -4.5 -4.9 -7.8 0.0 0.0 0.0 171.71