Re: how to set pH

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Mar 31 2010 - 05:54:15 CDT

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2010/3/31 crazylyf <crazylyf_at_163.com>:
> 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.

cheers,
  axel.

> Thank you very much.
>
> Regards,
> Crick
>
>
>

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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