AMBER Archive (2004)

Subject: Re: AMBER: A torsion parameter in AMBER2003 force field

From: David A. Case (case_at_scripps.edu)
Date: Fri Oct 08 2004 - 11:53:21 CDT

On Fri, Oct 08, 2004, Scott E. Boesch wrote:
>
> There are inconsistent data for the torsion N-C-CT-H0 of Glycine in AMBER
> 2003 force field. In the paper (Duna et al. Vol 24, No. 16 Journal of
> Computational Chemistry), parameters are: 0.5607/180 and 0.0110/0. In the
> AMBER force field package, parameters are : 1.0607/180 and 0.0110/0. I am
> wondering whether 0.5607 or 1.0607 is correct. Many thanks.
>

The value in the Amber package is correct; see:

   http://amber.ch.ic.ac.uk/archive/200408/0334.html

...dac

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