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Excluding intra-molecular electrostatic interactions

From: Margaret Rosenberg
Subject: Excluding intra-molecular electrostatic interactions
Date: Thu, 17 Sep 2020 17:06:32 +0200
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Dear EspressoMD users,

I'm attempting to use pypresso to simulate a system of anisotropic charged colloids. Each of these colloids is represented using the raspberry model. Following the documentation, I've excluded steric interactions between virtual sites on the same molecule. However, I also need to add a charge to each virtual particle: how can I exclude Coulomb interactions between virtual sites in the same colloid?

Kind regards,


Margaret Rosenberg, MSc

Dipolar Soft Matter Group
Faculty of Physics, University of Vienna
Sensengasse 8/18, 1090, Vienna, Austria

Phone: +43-(0)1-4277-73270

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