On Fri, 19 Sep 2008 15:00:18 +0200
Berk Hess <[EMAIL PROTECTED]> wrote:
Hi,
The same as in normal simulations.
I always use PME and PBC in my implicit solvent simulations.
then -
PME: treament of long range electrostatic interactions in implicit solvent?
PBC: simulate infinite dilution again in implicit solvent?
I really do not see the point!
Tsjerk might have a point with crystal packing ...
Berk
From: [EMAIL PROTECTED]
Subject: Re: [gmx-users] Implicit solvent & PBC
To: gmx-users@gromacs.org
Date: Fri, 19 Sep 2008 14:52:39 +0200
On Fri, 19 Sep 2008 17:28:20 +0530 (IST)
Anirban Ghosh <[EMAIL PROTECTED]> wrote:
> Hi All,
>
> I am simulating a Coarse Grained model using implicit solvent condition.
Can
>Periodic Boundary Condition and Particle-Mesh-Ewald be used with implicit
>solvent simulation?
What would be the use of PME and PBC in implicit solvent?
> Thanks,
>
>
>
>
> Anirban Ghosh
> M.Tech Bioinformatics
> University of Hyderabad
>
>
>
> Unlimited freedom, unlimited storage. Get it now, on
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Molecular Dynamics Group / NMR and Computation
University of Groningen
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The Netherlands
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