AMBER Archive (2008)

Subject: Re: AMBER: problem with Dihedral angle potentials

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Oct 29 2008 - 05:09:15 CDT

have you looked at the tutorials?

On Wed, Oct 29, 2008 at 5:23 AM, aneesh cna <aneeshcna_at_gmail.com> wrote:
> Hello Amber Users,
> I am trying to generate 'frcmod' file for a
> molecule by looking at the literature. For barrier height, in literature
> they mentioned three values (V1,V2 and V3, i.e., triple cosine potential)
> and out of this V1 is positive and other two (V2 and V3) are negative. Which
> one should I choose to mention in Amber 'frcmod' file and How can I get the
> angle and periodicity corresponding to V1,V2 and V3 that is not there in
> literature?. I am using Amber 9.0 version.
>
> Thanks in Advance
> Aneesh
>
>
>
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