AMBER Archive (2009)

Subject: Re: [AMBER] conversion of kelvin to kcal/mol

From: aneesh cna (aneeshcna_at_gmail.com)
Date: Mon Nov 09 2009 - 00:56:36 CST

Dear manoj,

        Thanks a lot

Regards
Aneesh

On Mon, Nov 9, 2009 at 10:47 AM, manoj singh <mks.amber_at_gmail.com> wrote:

> I think you should multiply the Kelvin temperature by k and 1kT = ~0.6
> kcal/mol.
>
> On Mon, Nov 9, 2009 at 12:08 AM, aneesh cna <aneeshcna_at_gmail.com> wrote:
>
> > Dear amber users,
> >
> > I am using Amber 9.0 for MD simulation. I would
> > like to use force field parameters from literature for my system and in
> > the publication , authors mention the force constants in Kelvin ( reduced
> > units). How can I convert Kelvin to kcal/mol for amber compatibility?.
> >
> >
> >
> > Thanks in advance
> > Aneesh
> > _______________________________________________
> > AMBER mailing list
> > AMBER_at_ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber