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[h5md-user] Offset
From: |
Konrad Hinsen |
Subject: |
[h5md-user] Offset |
Date: |
Tue, 10 Sep 2013 18:00:11 +0200 |
My converter for protein trajectories is making good progress: for
non-periodic simulations, it seems to work.
While working on periodic boxes, I hit a problem: I don't understand
what the "offset" value is supposed to contain, nor even why it
exists. The periodicity of a system in space is fully described by
three lattice vectors, which are stored in "edges".
Konrad.
--
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: research AT khinsen DOT fastmail DOT net
http://dirac.cnrs-orleans.fr/~hinsen/
ORCID: http://orcid.org/0000-0003-0330-9428
Twitter: @khinsen
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- [h5md-user] Offset,
Konrad Hinsen <=