wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_c bad_ byst soft bac brea pre pre pre const hbon hbon hbon hbond mis may may cost .5 r_b _ba .5 2 bic hain a_c pept roff _cla kbo k d_a d_a d_a raint d_ge d_ge d_ge _geom sin be_ be_ ack ck _fi ide shes ne_ lph lph lph s om om_b om_b _beta g_a met ssb bon t cla a2k a04 a06 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 T0356.try1-opt2.pdb.gz 7.2 8.8 8.9 50.8 72.8 60.3 20.7 9.3 -24.6 1.4 1.4 -1.3 10.2 0.4 3.3 3.7 3.6 3.7 171.7 -1.2 -1.7 -0.2 0.0 0.0 0.0 0.0 409.09 T0356.try1-opt2.repack-n 7.3 8.8 8.9 52.1 74.1 60.6 20.7 9.4 -24.2 1.4 1.4 -1.3 9.7 0.4 3.3 3.7 3.6 3.7 171.8 -1.2 -1.7 -0.2 0.0 0.0 0.0 0.0 412.21 T0356.try1-opt2.gromacs0 7.2 8.8 8.9 50.9 72.8 60.4 20.7 9.4 -18.4 3.7 2.8 -1.3 3.1 0.3 4.5 3.7 3.6 3.6 172.3 -1.3 -1.6 -0.2 0.0 0.0 0.0 0.0 413.94 T0356.try1-opt1.pdb.gz 7.3 8.8 8.9 52.0 74.1 60.5 20.8 9.4 -24.9 1.4 1.4 -1.3 13.2 0.4 3.3 3.7 3.6 3.7 171.7 -1.2 -1.7 -0.2 0.0 0.0 0.0 0.0 414.65 T0356.try1-opt1-scwrl.pd 7.4 8.8 8.9 53.3 75.0 60.6 20.8 9.4 -26.1 1.4 1.4 -1.3 15.7 0.4 3.3 3.7 3.6 3.7 171.7 -1.1 -1.7 -0.2 0.0 0.0 0.0 0.0 418.55