[AMBER] bond angle fitting

From: CHAMI F. <fatima.chami.durham.ac.uk>
Date: Tue, 26 Feb 2013 19:17:09 +0000

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

many thanks



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Received on Tue Feb 26 2013 - 11:30:03 PST