AMBER Archive (2008)

Subject: Re: AMBER: problem with Dihedral angle potentials

From: aneesh cna (aneeshcna_at_gmail.com)
Date: Thu Oct 30 2008 - 04:11:48 CDT

Hello Carlos,
              Thanks for your reply.Sorry to say that in tutorials I
couldn't able to found out the answer . Can u give me some more information
?

Thanks in Advance
Aneesh

On Wed, Oct 29, 2008 at 3:39 PM, Carlos Simmerling <
carlos.simmerling_at_gmail.com> wrote:

> 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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