Re: [AMBER] force.f routine

From: David A. Case <case.biomaps.rutgers.edu>
Date: Wed, 10 Jun 2009 15:09:47 +0100

On Wed, Jun 10, 2009, Brad Dickson wrote:
> Apologies for the silly question. I've lost a -1.
>
> Does the routine force.f actually return a force, or does it return a
> gradient?

The "f" array contains the force, negative of the potential gradient.

...dac


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Received on Mon Jul 06 2009 - 08:34:23 PDT
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