AMBER Archive (2009)

Subject: Re: [AMBER] Regarding united atom force field

From: Ray Luo (ray.luo_at_uci.edu)
Date: Mon Sep 21 2009 - 12:32:34 CDT

Dear Aneesh,

The latest UA model in Amber is only for proteins. If you want to use it
for other molecules, you'll have to build your own prepin files
following the same procedure as described in the following reference

Yang et al, New Generation AMBER United-Atom Force Field, J. Phys.
Chem., 110:13166-13176, 2006.

All the best,
Ray

==========================================
Ray Luo, Ph.D.
Associate Professor
Dept Molecular Biology & Biochemistry
University of California, Irvine, CA 92697
USPS: PO Box 3900 Email: rluo_at_uci.edu
Phones: (949) 824-9528, 9562
Web: http://rayl0.bio.uci.edu/
==========================================

aneesh cna wrote:
> Dear users,
> I would like to use united atom model for simulation of
> n-alkanes. Which force filed will be the better one?. can anyone suggest
> some reference for the same.
>
> Thanks in advance
> Aneesh
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>

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