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[ESPResSo-users] Hard Dimers in 2D

From: Salvador H-V
Subject: [ESPResSo-users] Hard Dimers in 2D
Date: Wed, 8 Jan 2014 15:38:59 -0600

Dear All,

I want to simulate a two dimensional system of  hard tangent spheres (dimers).

I am interested in a rigid dumbbell, so, I need to avoid sliding of one particles on the surface of the other particle.

I was wondering what is the proper way to setup this system with ESPresSo.

I am considering two options:
i) rigid bond with length bond equal to the diameter of the particles  + exclusion command

ii) Virtual sites to create a rigid object + ¿exclusion command?

Finally, I would like to know the reliability of the Langevin Dynamics thermostat, to calculate the dynamical properties of this system, such as the Mean Square Displacement of the center of mass of the dimers. What about rotational properties?

Any suggestion would be greatly appreciated.

Thanks a lot in advance!



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