[gmx-users] Implicit solvent & PBC

[Tsjerk Wassenaar]

Simulation of a crystal in implicit solvent?

Tsjerk

On Fri, Sep 19, 2008 at 2:52 PM, Xavier Periole <X.Periole at rug.nl> wrote:
> 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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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
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