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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Received on Tue Sep 28 2004 - 00:53:00 PDT
