[gmx-users] pair correlation function pbc=0?
suzen at theochem.tu-muenchen.de
Mon Jun 17 21:51:22 CEST 2002
> 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
Basically, if I use pbc=0, does gromacs handle rdf algorithm as in pbc?
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