[gmx-users] ion contact: rdf does not tend to 1

[andrea spitaleri]

Hi all,
I noticed that calculating the contact between the structural ions in a protein with protein itself
(the oxygen atoms actually) the rdf does tend to 0 (at 6 nm it is 0.574 but it seems going down)
rather than 1. Could it be explained with the fact the I am calculating the rdf on a non-homogeneous
 situation?. In few words, after few nm there are not oxygen atoms interacting with the ion.

Thanks
Regards

andrea
-- 
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Andrea Spitaleri PhD
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
http://biomolecularnmr.ihsr.dom/
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