[gmx-users] I know about improper dihedrals (i.e. gi_1) , etc. Is there a way to keep phenyl rings absolutely flat.
aroberts99163 at yahoo.com
Thu Jun 3 02:08:47 CEST 2010
I need to keep a molecule absolutely flat. I know about improper
dihedrals (i.e. gi_1), but it doesn't seem to be enough to keep it
flat. It seems to get bent a little bit. I have a system with a
phenyl ring and protons and I am trying to run GROMOS 96 ff53a6 force
field. I appreciate your ideas.
Dr. Arthur Roberts, Ph.D.
University of California, San Diego
Skaggs School of Pharmacy and Pharmaceutical Sciences
9500 Gilman Drive #0703
La Jolla, CA 92093-0703
email: aroberts99163 at yahoo.com
More information about the gromacs.org_gmx-users