Re: AMBER: hessian calculation

From: David A. Case <>
Date: Tue, 28 Mar 2006 18:15:58 -0800

On Tue, Mar 28, 2006, wrote:

> group
> 1
> RES 35 279

I don't see anything obviously wrong, but this is a very big system to be
doing normal modes on. If you want to explore things in more detail, try
printing out the Hessian elements for a very small test case, and work your
way up in size.


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Received on Sun Apr 02 2006 - 06:10:09 PDT
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