[AMBER] Looking for suggestion for analysis

From: Mohd Farid Ismail <mohd.farid.ismail.yandex.com>
Date: Fri, 28 Aug 2015 10:42:17 +0800


   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
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