AMBER Archive (2003)

Subject: Re: AMBER: chemical potential

From: David A. Case (case_at_scripps.edu)
Date: Wed Jul 30 2003 - 11:31:34 CDT

On Wed, Jul 30, 2003, Petrodler_at_aol.com wrote:

> I think it is possible to calculate the chemical
> potential by the Gibbs Ensemble Monte Carlo Method.

This is certianly possible, but there is no routine inside Amber to
automatically carry this out; you would have to do some programming.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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