Re: [AMBER] Looking force field for beta-peptide

From: David A Case <>
Date: Fri, 31 Oct 2014 13:26:51 -0400

On Fri, Oct 31, 2014, MOHD HOMAIDUR RAHMAN wrote:
> I want to study secondary structure by MD of newly synthesize seven residue
> beta-peptide in varying concentration of DMSO and Chloroform (not water).
> Please suggest me the force field that is compatible with with study.

The van Gunsteren group has done a lot of work on beta-peptides
in non-aqueous solvents. Working backward from a recent paper,
(e.g. "Conformational Preferences of a beta-Octapeptide as Function of
Solvent and Force-Field Parameters", Helv. Chim. Acta 96:189, 2013) should
get you good information.


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Received on Fri Oct 31 2014 - 10:30:02 PDT
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