Re: [AMBER] entropy

From: David A Case <>
Date: Thu, 25 Sep 2014 07:29:16 -0400

On Thu, Sep 25, 2014, Asfa Ali wrote:
> Is it possible to calculate entropy by using Quasiharmonic methods in AMBER?

If you open the Amber14 Reference Manual in its PDF version, and do a search
for "quasiharmonic", you will find the instructions you need.

It *is* missing from the index, but the information is there.


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Received on Thu Sep 25 2014 - 04:30:02 PDT
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