Subject: help about opls_aa force field

From: wei zhuang <[email-masked]>
Date: Sat, 4 May 2002 18:38:35 -0500

Dear friends:

I would like to use opls_aa force field to simulate a system that one HCl molecule soaked in glycol solvent molecules.my question is if I choose Cl-, how can I choose H. since there is no H+. can I choose HW(H on TIP3P, TIP4P or TIP5P water )? I guess I have to choose a H( with a positive charge)to keep the system neutral,right?

regards
wei zhuang