On Wed, Jul 05, 2006, Vanessa Oklejas wrote:
>
> Can anyone tell me the units associated with the Leonard-Jones A and
> B coefficients in force field parameters compatible with AMBER?
Amber uses kcal/mol as the unit of energy and Angstroms as the unit of length.
Hence, A is kcal/mol-Å**12 and B (aka C) is kcal/mol-Å**6.
...dac
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Received on Sun Jul 09 2006 - 06:07:14 PDT
