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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