... in kcal/mol between axial and equatorial amino-cyclohexane. The dashed line indicates the experimental value.Liljefors et al.12 Computational Medicinal Chemistry for Drug Discovery edited ... wasbased on the OPLS force field. As noted by Reddy et al., it is likely that reparam-eterization of GB/SA for a particular force field may improve the results for the forcefield. This has been ... 0.7trans-1,2-diF, ax,ax-eq,eq 0.8 0.9 À0.3 À0.2 1.4 1.7 À1.4 À0.8 À1.4 À0.8 À0.8 À0.8 0.6trans-1,2-diCl, ax,ax-eq,eq 0.9 À0.4 0.1 À2.0 À2.2 2.2 À0.4 À0.6 À0.4 À0.5 À0.2 À0.1 À0.9trans-1,2-diBr,...