Re: [AMBER] Fw: output nuclear force and hessian

From: David A Case <case.biomaps.rutgers.edu>
Date: Sat, 10 Aug 2013 21:55:07 -0400

On Sat, Aug 10, 2013, John Travers wrote:
>
> Is the nmode module in NAB the same as the standalone nmode?

No: they are completely different.

> Can it handle the PBC in the 2nd derivative calculation? 

No.

...dac


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Received on Sat Aug 10 2013 - 19:00:03 PDT
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