AMBER Archive (2009)

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

From: manoj singh (mks.amber_at_gmail.com)
Date: Sun Nov 08 2009 - 23:17:03 CST


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
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