AMBER Archive (2004)

Subject: Re: AMBER: Amber 03 Forcefield discrepancy

From: Yong Duan (yduan_at_chem.udel.edu)
Date: Mon Aug 30 2004 - 13:16:21 CDT

Dear Tyka:

The one on the frcmod.ff03 is correct. Sorry for the confusion.

yong

On Mon, 30 Aug 2004, MD Tyka, Biochemistry wrote:

> Dear AMBER Community,
>
> looking at the new AMBER 03 forcefield (Yong Duan et al J Comput Chem 24:
> 1999?2012, 2003) i noticed that there seems to be a disagreement in the new
> torsion parameters between the paper and the amber parameter file
>
> in frcmod.ff03
>
> H0-CT-C -N 1 1.0607 180.00 1.
>
> in the paper
>
> N?C?C ?H0 0.5607 180
>
> Which is the correct parameter ??
>
> Many thanks,
>
> Michael Tyka
>
>
> ----------------------
> MD Tyka, Biochemistry
> M.Tyka_at_bristol.ac.uk
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