Re: [gmx-users] Improper dihedrals on planar rings

Pablo Englebienne wrote: Hi all, I have a question about the setting of improper dihedrals. I have a pyrimidinone I want to use with the G53a5 force field, but I can't get the ring to stay flat. First question is: do all atoms in the planar ring need to have 3 subsituents? I.e., should an

[gmx-users] Improper dihedrals on planar rings

Hi all, I have a question about the setting of improper dihedrals. I have a pyrimidinone I want to use with the G53a5 force field, but I can't get the ring to stay flat. First question is: do all atoms in the planar ring need to have 3 subsituents? I.e., should an explicit atom of type HC be