Hi,
I have a system containing species A in a solvent system containing hexane
and an ionic liquid. Is there a way to get the RDF of the center-of-mass of
the solvent molecules around the COM of species A? It seems to me the
keyword center1 and center2 only allows the COM of one species, either the
solvent or the molecule of interest. Is there a way to get the RDF of the
COM of the solvent from the COM species of interest?
I want to get the data to show that there's a cage or there isn't a cage
around my molecule of interest A.
--
Mohd Farid Ismail
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Received on Thu Aug 27 2015 - 20:00:03 PDT
