Re: OPLS Lipid topology/potenital for NAMD

From: Himanshu Khandelia (hkhandel_at_memphys.sdu.dk)
Date: Thu Nov 15 2007 - 02:12:50 CST

A log of people are probably interested in using OPLS protein force fields
with a suitable set of lipid parameters, so it will be a fruitful exercise
if you succeed. Have you asked the experts at the charmm forum about the
possible problems with parameterizing ? They might know of some existing
issues about mixing OPLS charges with CHARMM dihedrals and such.

Good luck !

----------------------------
Himanshu Khandelia, PhD
Research Assistant Professor (Postdoc),
MEMPHYS, Center for BioMembrane Physics: www.memphys.sdu.dk
University of Southern Denmark (SDU)
Campusvej 55, Odense M 5230, Denmark
Phone: +45 6550 3510, +45 2398 7972
Fax: +45 6550 4048
email: hkhandel_at_memphys.sdu.dk,
hkhandelia_at_gmail.com
WWW: www.memphys.sdu.dk/~hkhandel
-----------------------------

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:20:44 CST