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-Å**12; B is kcal/mol-Å**6.
Generally, energies in Amber are in kcal/mol, disatances are in Å.
....dac
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Received on Wed Jan 12 2005 - 17:53:00 PST
