[AMBER] production run for diffusion constant

From: Robin Jain <robinjain.chem.gmail.com>
Date: Sun, 14 Dec 2014 21:09:17 +0530

Dear all,
I have equilibrated a organic molecule in 2048 methanol molecule in NPT
ensemble. Now i want to calculate diffusion constant,so what must be the
methodology for further MD run and what must be the input file for that.
Please help me in this regard.
Thanking You in advance. 
-- 
Robin Jain
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Received on Sun Dec 14 2014 - 08:00:02 PST
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