wet6 nea way dry5 dry6 dry8 dry1 phob deep n_ca bad_ sidec byst soft bac brea pre pre pre hbon hbon hbond hbond mis deep cost .5 r_b _ba .5 2 ic_f _kno _c pept hain roff _cla kbo k d_a d_a d_a d_ge d_ge _geom _geom sin _kno ack ck it t ide shes ne_ lph lph lph om om_b _beta _beta g_a t bon cla a2k a04 a06 ackb _pair tom e she one s s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 2.0 20.0 10.0 20.0 5.0 8.0 20.0 2.0 50.0 3.0 4.0 5.0 5.0 10.0 50.0 100.0 1.0 20.0 T0346.try1-opt2.pdb.gz 8.3 8.2 8.3 45.5 60.6 48.4 17.5 -1.6 0.0 3.7 1.9 -22.9 -3.5 0.9 0.0 0.8 2.3 3.2 3.9 -3.0 -3.7 -12.2 -13.9 0.0 0.0 152.82 T0346.try1-opt2.repack-n 8.4 8.2 8.3 46.8 62.2 48.9 17.6 -1.6 0.0 3.7 1.9 -21.4 -3.5 0.3 0.0 0.8 2.3 3.2 3.9 -3.1 -3.7 -12.2 -13.9 0.0 0.0 156.98 T0346.try1-opt1.pdb.gz 8.4 8.2 8.4 46.1 61.5 49.0 17.5 -1.6 0.0 4.0 2.0 -21.7 -3.4 1.2 0.0 1.0 2.4 3.2 3.9 -2.8 -3.6 -11.9 -13.4 0.0 0.0 158.40 T0346.try1-opt2.gromacs0 8.4 8.2 8.4 45.9 60.9 48.8 17.5 -1.6 0.0 2.5 4.1 -19.1 -3.0 0.2 0.0 0.3 3.2 4.1 5.1 -3.0 -3.7 -12.0 -13.6 0.0 0.0 161.35 T0346.try1-opt1-scwrl.pd 8.6 8.2 8.4 46.7 62.8 49.3 17.5 -1.6 0.0 4.0 2.0 -22.9 -3.4 3.9 0.0 1.0 2.4 3.2 3.9 -2.8 -3.6 -11.9 -13.4 0.0 0.0 162.34