[gmx-users] RDF of solvation shell molecules

sujithkakkat . sujithks58 at gmail.com
Thu May 22 16:53:04 CEST 2014


    I would like to know if it is possible to plot the RDF of water
molecules belonging to the solvation shell of a solute. I mean, I want to
know the effect of the solute on the water arrangement in the solvation
shell.  Is there a way to do this?



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