[gmx-users] Implicit solvent & PBC

Xavier Periole X.Periole at rug.nl
Fri Sep 19 14:52:39 CEST 2008


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
> 
> 
> 
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-----------------------------------------------------
XAvier Periole - PhD

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