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 T0320.try1-opt2.pdb.gz 8.3 8.9 9.0 47.5 63.0 53.8 18.7 3.6 -23.0 1.8 1.7 -0.5 8.0 0.3 6.9 1.0 0.9 0.9 25.8 -2.0 -3.1 -4.5 -5.4 0.0 -0.5 0.0 221.24 T0320.try1-opt2.repack-n 8.4 8.9 9.0 48.0 63.9 54.6 18.7 3.7 -21.8 1.8 1.7 -0.5 6.1 0.3 6.9 1.0 0.9 0.9 25.8 -2.0 -3.1 -4.5 -5.4 0.0 -0.5 0.0 222.90 T0320.try1-opt1.pdb.gz 8.4 8.8 8.9 48.8 64.4 54.7 19.1 4.1 -21.4 2.4 1.5 -0.3 9.7 0.3 6.8 1.4 1.2 1.2 29.0 -2.0 -3.0 -4.4 -5.2 0.0 0.0 0.0 234.30 T0320.try1-opt2.gromacs0 8.4 8.9 9.0 48.0 63.3 53.9 18.7 3.6 -12.7 5.5 3.0 -0.4 2.8 0.3 5.6 2.2 2.1 2.0 26.4 -2.1 -2.9 -3.9 -4.8 0.0 -0.5 0.0 236.30 T0320.try1-opt1-scwrl.pd 8.5 8.8 8.9 49.2 64.9 55.0 19.0 4.0 -22.9 2.4 1.5 -0.3 13.7 0.3 6.8 1.4 1.2 1.2 28.8 -1.9 -3.0 -4.4 -5.2 0.0 0.0 0.0 237.77