[gmx-users] I know about improper dihedrals (i.e. gi_1) , etc. Is there a way to keep phenyl rings absolutely flat.

[Arthur Roberts]

Hi, all,

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.

Much appreciated,
Art

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
cell: 206-850-7468
skype=aroberts92122