[gmx-users] g_rdf
Rama Gullapalli
quantrum75 at yahoo.com
Tue Nov 7 20:36:32 CET 2006
Hi GMX ers,
I posted this question earlier, but did not receive a reply. Hope to get an answer this time around.
I was wondering what could be the origin of a spike at close distances when I compute the RDF of N-P atoms in a lipid bilayer system (<0.25 nm) I tried using -cut option and also increasing the nrexcl to 5 in the N and P atoms ( to avoid intramolecular contributions?)
And yet, I still get that spike.
Any insight would be very helpful
Thanks
Rama
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