[gmx-users] Infinite CNT

[David van der Spoel]

Daniel Cheong wrote:
> Oh that works!
> 
> Ok.  This is going to seem dumb.  I had used pbc=xyz  because that's 
> what it says in the manual.  So how is that different than pbc=full?
> Thanks so much for your help!

pbc = xyz is slightly more efficient but it can not treat infinite 
molecules. pbc = full computes pbc for each interaction.

-- 
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://folding.bmc.uu.se
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