AMBER Archive (2009)

Subject: Re: [AMBER] Regarding use of PME along with Implict solvation

From: parul sharma (sharmaparul7373_at_gmail.com)
Date: Mon Mar 23 2009 - 05:55:24 CDT

Hi Vinod,

As far as i know, i think PME boundary condition can only be applied in case
of explicit solvents where you use some solvent box. I am not sure why are
you using PME in implicit? have you read it somewhere, if yes please let me
know..

Regards

On Mon, Mar 23, 2009 at 12:38 PM, jani sahil <genomejani_at_gmail.com> wrote:

> Dear all,
> Can you suggest me how good is to use PME along with implict
> It slows the simulation but what efficient is in case of accuracy.
>
>
> Thanks
>
> Vinod Jani
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> 

-- 
Parul Sharma
PhD Student, Durban University of Technology,
Durban,
South Africa
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