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Re: [ESPResSo-users] LANGEVIN_PER_PARTICLE


From: Stefan Kesselheim
Subject: Re: [ESPResSo-users] LANGEVIN_PER_PARTICLE
Date: Wed, 7 May 2014 09:07:00 +0200

Dear Tristan,

On 07.05.2014, at 08:55, Tristan Bereau <address@hidden> wrote:

> Dear all,
> 
> I've just stumbled across this wonderful LANGEVIN_PER_PARTICLE feature
> in ESPResSo, and was wondering if anyone could point me to some
> relevant literature, especially of applications. I couldn't find any
> reference from the user manual.

That is our own idea: For a demonstrator project we wanted to have different 
regions on two sides of a membrane at different temperatures. The easiest thing 
was using a different Langevin thermalization for different particles. In the 
demonstrator you can then adjust the temperature independently and the pressure 
will move the membrane. 
This is not scientifically sound :-). But if you want, you might have different 
particles with different frictions, but I'm not sure that this makes sense in 
many systems.
Cheers
Stefan


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