[AMBER] relative binding free energy calculation

From: leila karami <karami.leila1.gmail.com>
Date: Sat, 15 Oct 2011 17:30:59 +0330

Dear amber users


I want to obtain relative binding free energy in formation of protein-dna
complex using thermodynamic cycle.

I will investigate effect of type of dna in complex formation. I mutated dna
by change of 1 nucleic acid in dna.

my mean is shown in figure I attached to this e-mail.

Is there a tutorial for my case.

I know I should use coupling parameter lambda. but I don't where I should
start.


please guide me about that more.
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Received on Sat Oct 15 2011 - 07:30:03 PDT
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