[gmx-users] Implicit solvent & PBC

[Xavier Periole]

On Fri, 19 Sep 2008 15:00:18 +0200
  Berk Hess <gmx3 at hotmail.com> 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: X.Periole at rug.nl
>> Subject: Re: [gmx-users] Implicit solvent & PBC
>> To: gmx-users at gromacs.org
>> Date: Fri, 19 Sep 2008 14:52:39 +0200
>> 
>> On Fri, 19 Sep 2008 17:28:20 +0530 (IST)
>>   Anirban Ghosh <anirbanz83 at yahoo.co.in> 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 
>> >http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/tools-08.html/
>> 
>> -----------------------------------------------------
>> XAvier Periole - PhD
>> 
>> Molecular Dynamics Group / NMR and Computation
>> University of Groningen
>> The Netherlands
>> -----------------------------------------------------
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-----------------------------------------------------
XAvier Periole - PhD

Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands
-----------------------------------------------------