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[ESPResSo] polymer command
From: |
Axel Arnold |
Subject: |
[ESPResSo] polymer command |
Date: |
Tue, 3 Mar 2009 16:06:27 +0100 |
User-agent: |
KMail/1.7.1 |
Hi all,
since about December 2007 (that is, version 2.0.4w), the polymer command is
broken (well, it never really worked, but at least approximately...).
If you do not specify specific angles between adjacent monomers, the current
implementation does two things:
- if you define OLD_RW_VERSION in myconfig.h, the density of bond vectors at
the poles is slightly too high
- if you do not define OLD_RW_VERSION (the default), then you get correct bond
vectors, but only in the upper half space, i.e. your polymer just grows in
one direction.
Torsten will fix this ASAP.
Axel
--
Dr. Axel Arnold
Fraunhofer SCAI
Schloss Birlinghoven, 53754 Sankt Augustin, Germany
Tel: +49 2241 14 2575
- [ESPResSo] polymer command,
Axel Arnold <=