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[ESPResSo-users] Exclude particles from interaction
From: |
address@hidden |
Subject: |
[ESPResSo-users] Exclude particles from interaction |
Date: |
Thu, 6 Jul 2017 19:27:06 +0200 |
User-agent: |
Mozilla/5.0 (X11; Linux x86_64; rv:45.0) Gecko/20100101 Icedove/45.6.0 |
Dear all,
I use the current development version with pypresso. If I understand it
correctly, using the "exclude" method of the particle class disables all
non-bonded interactions between the excluded particles.
I have a situation, where I want to suppress the steric Lennard-Jones
interaction, but keep the short-range electrostatic interaction for
certain particles. Is this possible?
I am asking, because in the feature chapter of the user guide it says:
"EXCLUSIONS Allows to exclude specific short ranged interactions within
molecules." So it seems like it would be possible.
Best,
Clemens
- [ESPResSo-users] Exclude particles from interaction,
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