(unknown charset) Re: AMBER: units

From: (unknown charset) David A. Case <case.scripps.edu>
Date: Wed, 12 Jan 2005 09:22:03 -0800

On Wed, Jan 12, 2005, Monica Civera wrote:
>
> which units are in the topology file the Lennard-Jones terms
> ACOEF and BCOEF?

A is in units of kcal/mol-**12; B is kcal/mol-**6.

Generally, energies in Amber are in kcal/mol, disatances are in .

....dac

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Received on Wed Jan 12 2005 - 17:53:00 PST
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