[gmx-users] Average RDF

[Maryam Sadeghi]

Hi All,

I am simulating a single chain of Polyethylene Glycol (PEG9 terminating
with -OH groups) in water, and I need to calculate the RDF for the terminal
Oxygens & O-water as well as the ether Oxygens within the chain (in my case
9 Oxygens) and O-water.
I have calculated the Oe-Ow RDF for each single O within the chain, but I
am actually looking for the average RDF of all ether Oxygens. Could anyone
tell me how I can compute an average RDF in GROMACS for all the ether
Oxygens within the chain and O-water in 1 single graph?

Thank you
-- 

Maryam S. Sadeghi
P *Please think before printing*