[AMBER] calculation diffusion coefficient

From: Sohag Biswas <cy13p1001.iith.ac.in>
Date: Sun, 1 Jun 2014 14:58:21 +0530

Dear amber users,
I need your help. I am trying to calculate mutual diffusion coefficient. My
system contains 600 wat residue and 600 DMF residue. During calculation I
am using this following command.

 diffusion :1-1200 8 average 0.50diff

it is calculating, after that i am following manual to calculate diffusion.
My question which equation it is following during mutual diffusion
coefficient calculation? please help me. Thanks.
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Received on Sun Jun 01 2014 - 03:00:02 PDT
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