wet6 nea way dry5 dry6. dry8 dry1 pho sidec n_c bad_ byst soft bac break pred pred pred cons hbon hbon hbon hbond mis cost .5 r_b _ba 5 2 bic hain a_c pept roff _cla kbo _alp _alp _alp trai d_ge d_ge d_ge _geom sin ack ck _fi ide shes ne_ ha2k ha04 ha06 nts om om_b om_b _beta g_a bon t cla ackb eta _pair tom e she one s s WEIGHTS--> 15.0 5.0 5.0 30.0 43.0 25.0 5.0 0.3 2.0 8.0 20.0 5.0 60.0 2.0 140.0 2.0 2.0 2.0 8.0 5.0 10.0 50.0 100.0 1.0 T0385.try27-opt2.pdb.gz 8.2 8.4 8.5 86.9 129.4 83.2 17.8 0.5 -12.8 2.5 1.9 -0.5 4.1 0.1 4.5 -0.4 -0.4 -0.4 -4.8 -3.2 -5.3 -1.2 -2.0 0.0 324.91 T0385.try26-opt2.pdb.gz 8.3 8.5 8.6 86.1 129.5 83.8 17.8 0.4 -12.4 1.4 2.4 -0.7 2.8 0.0 2.3 -0.3 -0.2 -0.2 -2.4 -3.5 -5.3 -0.1 0.0 0.0 326.81 T0385.try28-opt2.pdb.gz 8.8 8.6 8.7 86.9 128.4 82.5 17.7 0.3 -12.0 1.6 1.6 -0.2 5.5 0.0 3.9 -0.0 0.0 0.0 -2.7 -3.6 -6.0 -1.1 -1.2 0.0 327.78 T0385.try27-opt1.pdb.gz 8.2 8.4 8.5 87.3 130.4 83.1 17.7 0.5 -12.9 2.5 1.9 -0.5 5.3 0.1 4.5 -0.4 -0.4 -0.4 -4.8 -3.2 -5.2 -1.1 -2.0 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T0385.try15-opt2.gromacs 9.0 8.6 8.7 87.6 129.2 82.6 17.8 0.3 -10.8 2.0 4.9 -0.4 3.8 0.1 4.5 0.7 0.7 0.7 -3.8 -3.4 -5.4 -1.0 0.0 0.0 336.27 T0385.try11-opt2.gromacs 8.4 8.1 8.2 85.9 128.3 83.7 17.9 0.6 -11.7 1.7 4.2 -0.6 3.5 0.0 6.0 0.4 0.2 0.2 1.0 -3.6 -5.8 -0.3 0.0 0.0 336.40 T0385.try12-opt2.pdb.gz 8.2 8.0 8.6 87.2 129.5 84.3 18.1 0.5 -13.3 2.0 2.3 -0.7 10.4 0.0 4.4 -0.6 -0.5 -0.6 -1.6 -3.5 -5.6 -0.5 0.0 0.0 336.68 T0385.try13-opt2.repack- 8.4 8.1 8.4 87.9 131.9 84.8 18.1 0.6 -12.9 2.0 2.6 -0.3 7.5 0.0 4.2 -0.5 -0.5 -0.5 -3.8 -3.5 -5.7 -0.3 0.0 0.0 336.72 T0385.try6-opt2.pdb.gz 8.6 9.0 8.9 87.3 129.0 82.1 17.7 0.3 -13.6 1.6 1.7 -0.3 12.3 0.1 3.4 -0.2 -0.2 -0.1 0.3 -3.4 -5.4 -1.1 -1.2 0.0 336.75 T0385.try24-opt2.gromacs 8.5 8.5 8.6 89.6 132.0 83.9 17.8 0.5 -10.5 1.5 4.2 -0.4 1.9 0.0 4.0 0.5 0.5 0.4 -4.4 -3.0 -4.9 -0.7 -1.6 0.0 336.78 T0385.try25-opt2.gromacs 8.4 8.5 8.7 87.9 131.4 84.1 17.8 0.4 -11.4 1.3 4.8 -0.5 1.5 0.0 4.0 0.3 0.3 0.3 -2.4 -3.3 -5.1 -0.1 0.0 0.0 336.86 T0385.try14-opt2.pdb.gz 8.6 8.4 8.7 87.4 131.6 84.5 18.1 0.4 -12.8 2.3 1.9 -0.7 10.9 0.1 2.0 -0.3 -0.3 -0.3 -4.7 -3.3 -5.1 -0.4 0.0 0.0 337.07 T0385.try8-opt2.repack-n 8.7 8.8 8.8 88.6 130.0 82.1 17.6 0.3 -13.6 1.6 1.7 -0.5 12.7 0.1 4.0 -0.3 -0.3 -0.3 -0.3 -3.7 -6.1 -1.3 -1.2 0.0 337.35 T0385.try20-opt2.repack- 8.5 8.3 8.5 88.9 131.8 83.7 17.8 0.5 -12.8 3.1 1.7 -0.4 8.7 0.1 4.0 -0.2 -0.2 -0.2 -4.6 -3.1 -4.9 -0.7 -0.9 0.0 337.71 T0385.try14-opt2.gromacs 8.6 8.4 8.7 88.5 132.8 84.8 18.1 0.4 -10.8 1.6 4.4 -0.4 2.3 0.0 3.1 0.1 0.2 0.1 -4.2 -3.3 -5.1 -0.4 0.0 0.0 337.84 T0385.try6-opt2.gromacs0 8.6 9.1 8.9 88.3 129.7 82.5 17.7 0.3 -11.2 1.8 4.6 -0.0 3.0 0.1 3.4 0.7 0.7 0.7 -0.1 -3.4 -5.2 -1.1 -1.1 0.0 337.93 T0385.try17-opt2.repack- 8.6 8.2 8.5 90.6 129.8 82.4 17.5 0.3 -13.4 1.1 2.8 -0.5 6.1 0.1 8.2 -0.7 -0.6 -0.7 -1.7 -3.1 -5.2 -0.3 0.0 0.0 337.96 T0385.try3-opt2.pdb.gz 8.9 8.9 8.8 87.9 127.4 81.6 17.7 0.3 -13.3 1.5 1.9 -0.3 13.2 0.0 6.4 -0.2 -0.4 -0.3 -0.4 -3.5 -5.7 -0.9 -1.1 0.0 338.20 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