AMBER Archive (2008)

Subject: Re: AMBER: Constant pH dynamics

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Dec 09 2008 - 09:27:51 CST

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.

...dac

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