AMBER Archive (2004)

Subject: Re: AMBER: intramolecular energies

From: David A. Case (case_at_scripps.edu)
Date: Mon Sep 27 2004 - 18:27:25 CDT

On Mon, Sep 27, 2004, Guanglei Cui wrote:
>
> I'm looking at calculating intramolecular energies for a periodic system
> (organic fluid) with PME.

If you just want to analyze intramolecular energies, why not use anal?
That should give you what you want, with no coding needed.

...dac

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