[gmx-users] Some Issues on Substrates/PBC

[Michael Hirtz]

Hi Andre,

> if you are not interested in the substrate dynamics, then you could
> try the freeze group options (freezegrps and freezedim). I have used
> these options for graphite and it worked just fine.

Thanks for your reply! In addition with the 'pbc = full' options it solves all
my problems with the messed up structures! :)

Best,
  Michael
-- 
http://www.defux.de