Re: AMBER: Constant pH dynamics

From: David A. Case <>
Date: Tue, 9 Dec 2008 10:27:51 -0500

On Tue, Dec 09, 2008, Beale, John wrote:

> Can someone tell me how to set up and run dynamics at constant pH? Is it
> possible to set the pH to some arbitrary value? I looked in the archive
> and found no information about this.

Have you read section 4.8 of the Users' Manual? Have you looked at the
examples in $AMBERHOME/test/cnstph? These should get you started.


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Received on Wed Dec 10 2008 - 01:21:16 PST
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