Re: how to set pH

From: Axel Kohlmeyer (
Date: Wed Mar 31 2010 - 05:54:15 CDT

2010/3/31 crazylyf <>:
> Hi ,
> I am a freshman in this field and I have a question recently. I want to run
> a simulation that has a certain pH outside of a membrane protein. Is there
> any way can I achieve this?

i suggest before worrying about this, you first do the math of how
many h3o+ or oh- you would have to have given the amount of
water molecules that you have in your system.


> Thank you very much.
> Regards,
> Crick

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:55:38 CST