[gmx-users] pbc

[David]

On Wed, 2005-07-20 at 20:08 +0100, M.Naser wrote:
> Hi David,
please don't call everyone on the list (1000+ persons) David...

> 
> What is the difference between pbc=xyz and pbc=full? How would you disable
> pbc in z direction?
pbc = full is a different algorithm for special cases like infinite
crystals. It is also somewhat slower.

Turn pbc in one direction can be done by extending the box by a factor
of three typically (adding vacuum that is).
> 
> With regards,
> 
> Abu
> 
> 
> __________________________________________________________________
> 
> DISCLAIMER:
> 
> This e-mail message is subject to http://www.hw.ac.uk/disclaim.htm
> __________________________________________________________________
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++