Dear amber users,
I am working on solvation of a organic molecule in methanol solvent using
Amber12.
Now i want to calculate the interaction energetics of organic molecule with
methanol molecules. On surfing, I found that Amberlite is able to do it,
but i do not know how can i use it. So i want procedure for using it to
find out the interaction energetics. Please help me in this regard.
Thanking You.
--
Robin Jain
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Received on Thu Mar 06 2014 - 23:30:02 PST