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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 |
User-agent: |
Roundcube Webmail/1.4.8 |
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
--
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
https://dsm.univie.ac.at/people/details/user/rosenbergm69/inum/1151/backpid/96885/
- Excluding intra-molecular electrostatic interactions,
Margaret Rosenberg <=