AMBER Archive (2008)

Subject: Re: AMBER: how to change the force field parameters inside the prmtop file?

From: David A. Case (case_at_scripps.edu)
Date: Mon Apr 07 2008 - 23:58:53 CDT

On Mon, Apr 07, 2008, Chih-Ying Lin wrote:
>
> Why are the value parameters in the prmtop file only half of the value of
> parameters in the frcmod file after I make a new prmtop file with a new
> frcmod file?

Example, please.

(In general, your posts are very hard to answer because there is often way to
little information given. Providing an input file and a precise description
of what you did is much more helpful than just saying "I did a minimization
and the answer was not what I expected.")

...dac

p.s. my WAG is that you may(?) be talking about torsion potentials that
have a "division factor" of two.

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