Re: AMBER: energy criteria.

From: David A. Case <>
Date: Fri, 30 Apr 2004 08:36:13 -0700

On Fri, Apr 30, 2004, wrote:

> I would like to know that like we can specify the convergence criterion
> during minimization using DRMS, is it possible to specify some kind of
> criteria regarding the energy of the system?

There is no other "built-in" convergence criterion. It would not be hard
to modify the code to add one.

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Received on Fri Apr 30 2004 - 16:53:01 PDT
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