AMBER Archive (2006)

Subject: Re: AMBER: hessian calculation

From: David A. Case (case_at_scripps.edu)
Date: Tue Mar 28 2006 - 20:15:58 CST

On Tue, Mar 28, 2006, sebnem_at_mercury.chem.pitt.edu wrote:

> group
> 1
> RES 35 279
> END
> END

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.

...dac

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