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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Nov 08 2009 - 21:30:04 PST
