Re: [AMBER] conversion force constant

From: James Maier <jimbo.maier.gmail.com>
Date: Mon, 19 May 2014 15:44:22 -0400

On Mon, May 19, 2014 at 3:26 PM, giulia palermo
<giulia.palermo83.gmail.com>wrote:

> kcal/mol/(A**2)
>
> But, what does it mean (A**2)???
>

A = angstroms

Please see http://ambermd.org/formats.html and the link on that page to a
well-written extract from Jason Swail's dissertation (
http://ambermd.org/prmtop.pdf ).

Of particular interest should be the sections on "BOND_FORCE_CONSTANT"

James
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Received on Mon May 19 2014 - 13:00:02 PDT
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