On Tue, Mar 28, 2006, sebnem.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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Received on Sun Apr 02 2006 - 06:10:09 PDT
