Re: [gmx-users] some puzzled about the dihedral paramaters

Jinyao Wang wrote: > gmx-users， > Dear all, > > I make a *.itp for benzene by myself. All parameters come from the > ffoplsaabon.itp and ffoplsaanb.itp. while I have some puzzled about the > dihedral parameters of benzene. You should check out the literature of OPLS/AA and see how aromatic rin

[gmx-users] some puzzled about the dihedral paramaters

gmx-users， Dear all, I make a *.itp for benzene by myself. All parameters come from the ffoplsaabon.itp and ffoplsaanb.itp. while I have some puzzled about the dihedral parameters of benzene. In ffoplsaabon.itp file, there are dihedral parameters of benzene and the potential function is 3, lik