[AMBER] about MD simulation

From: 廖青华 <fantastic_0919.yahoo.com.cn>
Date: Wed, 11 Mar 2009 17:19:28 +0800 (CST)

Hi Prof. , When I add water to the complex using "solvateoct unit TIP3PBOX 8.0" , it adds nearly twenty thousands water molecules. Is it abnormal? And somebody suggest me use solvateshell to do that, my queation is that : is it enough to add solvent only using solvateshell? Thanks! All the best! Qinghua Liao ___________________________________________________________ 好玩贺卡等你发,邮箱贺卡全新上线! http://card.mail.cn.yahoo.com/
AMBER mailing list
Received on Fri Mar 13 2009 - 01:07:44 PDT
Custom Search