[gmx-users] Some Issues on Substrates/PBC

Michael Hirtz hirtz at uni-muenster.de
Thu Aug 7 14:45:43 CEST 2008

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! :)


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