[gmx-users] periodic boundary conditions in g_rdf
ilhan_eins at live.com.mx
Fri Oct 31 23:55:54 CET 2008
I'm working a system with a peptide embedded in a lipid bilayer and I try to get the two-dimentional g_rdf for the upper leaflet around the peptide with the -xy option and periodic boundary conditions. But my RDF doesn't go to 1. When a used -nopbc i get almost the same result (just multiplied by a constant) and the RDF is always cutted at the half of size of the box.
Any help will be appreciated.
Thanks in advance.
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