Dear manoj,
Thanks a lot
Regards
Aneesh
On Mon, Nov 9, 2009 at 10:47 AM, manoj singh <mks.amber.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.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
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Received on Sun Nov 08 2009 - 23:00:02 PST
