Re: [AMBER] vdw energy and electrostatic energy calculation for osmolyte

From: Subrata Paul <paul.subrata34.gmail.com>
Date: Thu, 26 Mar 2015 00:10:58 +0530

Dear Jason

I want to calculate vdw energy and electrostatic energy for the first
solvation shell.
Do lie command calculate the energy for FSS in amber 12 tools ?

On Wed, Mar 25, 2015 at 5:44 PM, Jason Swails <jason.swails.gmail.com>
wrote:

> On Wed, Mar 25, 2015 at 1:30 AM, Subrata Paul <paul.subrata34.gmail.com>
> wrote:
>
> > very very thanks Jason
> >
> > Can I use lie command in cpptraj of amber12 tools ?
> >
>
> ‚ÄčIf you think that calculates what you want to calculate...
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>



-- 
*With Best RegardsSubrata PaulPhD StudentDept of Chemistry.IIT Guwahati*
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Received on Wed Mar 25 2015 - 12:00:03 PDT
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