[gmx-users] symmetric restrains
Bert de Groot
bgroot at gwdg.de
Wed Jun 2 10:46:51 CEST 2004
Hi,
some time ago, I wrote an x-ray structure refinement module for gromacs (2.1 at that time I believe)
which does include symmetry restraints (and constraints), however I only implemented a few
symmetry groups (P1, P4 and P4212 IIRC) and the module never made it to production
level (although most basic features seem to work). If anyone's interested, just drop me an email
and I'd be happy to share the code.
--
Bert
____________________________________________________________________________
Dr. Bert de Groot
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
37077 Goettingen, Germany
tel: +49-551-2012308, fax: +49-551-2012302
email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/073
____________________________________________________________________________
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