Pairinteractions

From: Ilya Chorny (ichorny_at_gmail.com)
Date: Wed Aug 01 2007 - 16:43:12 CDT

Hello,

I would like to use pair interactions to monitor the self energy of my lipid
as well as the interaction energy between the protein and the lipid. I am
post processing the data in my dcd file using NAMD as shown in the manual.
The only thing I don't understand, and this may be a stupid question, is
what do I due with the force output? I need energies. Is there some obvious
way to get the interaction energy from the forces. I apologize a priori if
there is an obvious answer to my question

Best,

-- 
Ilya Chorny Ph.D.

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