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[ESPResSo-users] virtual sites questions


From: Jiajia Zhou
Subject: [ESPResSo-users] virtual sites questions
Date: Mon, 21 Mar 2011 23:33:02 +0100

Dear Espresso lovers,

I am trying to use the raspberry model to simulate colloids. I found
the VIRTUAL_SITES_RELATIVE (in developer's code) is very handy, ie, I
create a single particle at the center of a sphere, and then decorate
the surface with virtual sites. But there are still some question I'm
wondering if some one can help me.

1)  I'm using the Langevin thermostat. I read in the ug file that
there is an additional feature called VIRTUAL_SITES_THERMOSTAT. Do we
need to turn on this feature in order to have the frictional and
random force on the virtual sites? I tried to uncomment the line in
the configuration but doesn't seem to do anything.

2) Is it possible to let one real particle without experience the
thermostat? for example, the particle at the center of mass. The
additional feature THERMOSTAT_IGNORE_NON_VIRTUAL seems to be the
choice, but that seems to exclude all real particles.

Thanks a lot
Jiajia



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