From: Nikita Vakula (vakula.chem_at_gmail.com)
Date: Thu Jul 28 2011 - 00:46:05 CDT
Dear colleques,
Could you please tell me can I use cahrmm force field by Lopes and MacKerell
(it has been developed for silica-water system,
http://pubs.acs.org/doi/abs/10.1021/jp055341j) to model unhydrated quartz
surface (I mean when I have oxygen bridges between silicon atoms) without
water? And are there any other charmm-like or amber-like force fields for
such a system?
Thank you very much in advance,
Nikita
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:31 CST