wet6 nea way dry5 dry6 dry8 dry1 phob sidec n_c bad_ byst soft bac break pre pre pre cons hbon hbon hbon hbond mis cost .5 r_b _ba .5 2 ic_f hain a_c pept roff _cla kbo d_a d_a d_a trai d_ge d_ge d_ge _geom sin ack ck it ide shes ne_ lph lph lph nts om om_b om_b _beta g_a bon cla a2k a04 a06 ackb eta _pair tom e she one s s WEIGHTS--> 15.0 5.0 5.0 30.0 20.0 15.0 5.0 2.0 5.0 5.0 10.0 5.0 40.0 2.0 100.0 2.0 2.0 2.0 10.0 5.0 10.0 50.0 100.0 1.0 T0344.try12-opt2.pdb.gz 8.2 8.3 8.5 91.8 62.5 53.2 18.5 4.9 -26.9 0.6 0.9 -0.7 5.9 0.1 1.8 1.0 1.3 1.2 -4.3 -2.3 -3.4 -4.4 -8.2 0.0 218.41 T0344.try12-opt2.gromacs 8.3 8.4 8.5 92.8 63.0 53.3 18.5 4.9 -23.1 0.7 2.2 -1.0 1.2 0.0 1.6 1.4 1.8 1.6 -4.4 -2.3 -3.4 -4.3 -8.0 0.0 221.86 T0344.try12-opt2.repack- 8.2 8.3 8.5 94.1 63.5 53.7 18.5 5.0 -25.5 0.6 0.9 -0.7 5.2 0.1 1.8 1.0 1.3 1.2 -4.3 -2.1 -3.4 -4.4 -8.2 0.0 223.23 T0344.try8-opt2.pdb.gz 8.0 8.2 8.3 92.3 63.3 52.7 18.3 1.8 -25.3 0.9 1.1 -1.0 5.1 0.1 2.3 0.7 1.1 1.0 3.0 -2.2 -3.7 -4.4 -7.9 0.0 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