AMBER Archive (2009)

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

From: jani sahil (genomejani_at_gmail.com)
Date: Mon Mar 23 2009 - 08:04:15 CDT

Thanks parul,
As per my knowledge one can use PME along with implict solvent if he is
using perodic boundary condition.
And as i am using going to use perodic boundary condition so i want the
knowledge about PME.

Regards
Vinod Jani

On Mon, Mar 23, 2009 at 4:25 PM, parul sharma <sharmaparul7373_at_gmail.com>wrote:

> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER_at_ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Parul Sharma
> PhD Student, Durban University of Technology,
> Durban,
> South Africa
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> AMBER_at_ambermd.org
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>
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