[gmx-users] opls charge
Mu Yuguang (Dr)
YGMu at ntu.edu.sg
Mon Feb 13 03:47:25 CET 2006
How about this one:
PNAS .102 p6665-6670 (2005)
You can find related papers there.
Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Rongliang Wu
Sent: Monday, February 13, 2006 10:35 AM
Subject: RE:Re: [gmx-users] opls charge
then would you please offer me some classical paper on the opls parameters?
and by the way, will the charge distributed by QEq or Gasteiger enough for the opls or gromacs force field?
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
wurl04 at iccas.ac.cn
More information about the gromacs.org_gmx-users