[gmx-users] pair correlation function pbc=0?

[David]

On Mon, 2002-06-17 at 20:51, Mehmet Suezen wrote:
> Dear Gromacs Community,
> 
> Does anybody have an idea that What is the main difference for
> the RDF algoritm  with and without pbc in gromacs/general? Normalization
What do you mean?

You need PBC to see interactions between atoms over box boundaries,
otherwise the height of the RDF peaks would be too low

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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