On Tue, Feb 26, 2013 at 2:17 PM, CHAMI F. <fatima.chami.durham.ac.uk> wrote:
> Dear Amber users,
>
> I would like to parameterize a bond angle from QM data.
>
> does Amber internally convert bond angle equilibrium value entered in
> frcmod to radian since the unit of the force constant is
> kcal/mol/radians**2
>
Yes. This conversion is done by tleap.
>
> many thanks
>
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Feb 26 2013 - 12:00:02 PST
