[AMBER] Lennard-Jones Parameters for Each Atom

From: Uday Midya <umidya.iitkgp.gmail.com>
Date: Fri, 5 Sep 2014 19:16:54 +0530

Hi All
I require the numerical value of *epsilon* and *sigma *for each atom in my
system. I find in amber topology file that their product is given in the
*Aij* and *Bij* form for each pair of atom type. Can any one suggest me how
to get the *sigma *and* epsilon*?

Uday Sankar Midya
IIT Kharagpur
West Bengal
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Received on Fri Sep 05 2014 - 07:00:02 PDT
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