[AMBER] help in calculation of diffusion coefficient

From: Robin Jain <robinjain.chem.gmail.com>
Date: Thu, 18 Dec 2014 20:58:33 +0530

Dear all,
I am new comer in Md and i have simulated a organic molecule in 1024
methanol molecule. After equilibration using NVT ensemble i did 10ns
production run in NVE ensemble. Now i want to calculate diffusion
coefficient and plot of MSD. I donot know how to do this. So i request
you to help me in this regard.
Thanking You. 
-- 
Robin Jain
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Received on Thu Dec 18 2014 - 07:30:02 PST
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