Dear All,
I have a trajectory file and I would like to plot the number of water molecules within a distance from a ligand in time or study thermodynamicproperties of the water clusters over trajectory. I've been trying to figure out how to do it via cpptraj but I couldn't find anything.
I hope you can help me.
Thanks,Saman
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Received on Wed Sep 21 2016 - 21:30:02 PDT
