Potential energy in the boundaries

From: Nadia Salami (nadiasalamii_at_gmail.com)
Date: Tue Nov 05 2013 - 03:06:50 CST

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Dear users

I'm working on adsorption of two biological molecules together in the
water environment with kcl ions in it. For this I have done MD calculaions
as below:
I have put to the molecules nearly and I have solved these, after that I
have added the ions with some concentration, How I can know potential
energy in the boundaries after running MD?

Thanks in advance,
Best Regards,
Nadia Salami

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