

AMBER Archive (2009)Subject: Re: [AMBER] dihedral force calculation From: case (case_at_biomaps.rutgers.edu)Date: Sat Sep 12 2009  09:04:34 CDT
On Fri, Sep 11, 2009, Germain Vallverdu wrote:
This fails when sin phi is close to zero. Generally speaking, you want to
f =  d E(phi) / d r =  (dE(phi)/d cos phi) * (d cos phi / d r)
> I juste would like to know if my previous equation is right. Mainly is
Not sure which "minus sign" you mean. Amber programs collect the "force"
...hope this helps...dac
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