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Re: [ESPResSo-users] Energy of a specific particle type
From: |
Christoph Junghans |
Subject: |
Re: [ESPResSo-users] Energy of a specific particle type |
Date: |
Sun, 13 Feb 2011 10:59:24 +0100 |
User-agent: |
Internet Messaging Program (IMP) H3 (4.3.7) |
Is there any simple way to calculate kinetic energy of articles of a
specific type. i.e. I have mixture of A (type 1) and B (type 2)
particles and I would like to calculate kinetic energy of each group
individually (the main purpose is to check the temperature). Is there
any simple way (a command with some parameters) apart from calculating
the energy in tcl loop from particles velocities?
analyze energy_kinetic <type>
(mind the underscore, this is different from 'analyze energy kinetic')
Cheers,
Christoph
Many thanks in advance,
Mikhail
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Dr. Christoph Junghans
Max Planck Institute for Polymer Research
Theory Group
POBox 3148
D 55021 Mainz, Germany
Phone: +49 6131 379 335
Web: http://www.mpip-mainz.mpg.de/~junghans
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