[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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