[gmx-users] opls charge

[Mu Yuguang (Dr)]

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 
Singapore 637551
Tel: 63162885
Fax: 67913856
 

-----Original Message-----
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
To: gmx-users
Subject: RE:Re: [gmx-users] opls charge

Hello gmx-users,
             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?
	

Thanks!

Regards!
                    
Sincerely,

Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
 				

　　　　　　　　　　wurl04 at iccas.ac.cn
　　　　　　　　　　2006-02-13