Dear sir,
I want to calculate radial distribution function using cpptraj. I have a
system of a organic molecule in 437 methanol. Now i want to know that
1. how can i avoid intramolecular rdf calculation.
2. how can i calculate rdf between solvent specify atom to solvent
specifyatom.
3. how can i calculate rdf between solvent specify atom to solute specify
atom.
please help me in this regard.
Thanking You.
--
Robin Jain
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Received on Thu Jan 02 2014 - 01:00:02 PST