Re: [AMBER] topology file issue with entropy calculation

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 5 Feb 2013 07:46:28 -0500

On Mon, Feb 04, 2013, Rejwan wrote:
>
> I have a ?water stripped topology file that ran fine to calculate
> decomposition of GB and PB energy components, but giving error while
> calculating entropy by normal mode. Any suggestions for potential
> ?failure check are welcome.

Look at the output files to see what the error is? No one on the list can
help without more information than this.

...dac


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Received on Tue Feb 05 2013 - 05:00:03 PST
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