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[ESPResSo-users] Coulomb forces capping

From: Aleksei Kabedev
Subject: [ESPResSo-users] Coulomb forces capping
Date: Fri, 15 Aug 2014 13:14:58 +0100

Dear all,

I'm not sure that's the best way to do it, but I'm modeling some big spheres by just central points, giving them LJ potentials and some charges. The problem is that if the radiuses are too big, I have to give really big charges to the particles to keep the right surface charge density, as the potential decreases up to growth of the radius exponentially. That wouldn't be bad if some overlaps didn't appear from time to time. In that case even a small intersection causes huge forces and velocities.
As far as I understood there is no forcecapping for the electrostatic interaction in espresso. Is there any chance to implement it easily? Or probably there is a way of shifting the coulomb forces action range?
Thank you!


Kind regards,

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