[AMBER] The validity of a per-residue decomposition in amber

From: g t <sketchfoot.gmail.com>
Date: Wed, 30 Mar 2011 14:36:33 +0100


I was wondering how free energies can be decomposed into free energy values
on a per-residue basis using thermodynamic integration. Thermodynamically,
isn't the free energy a state function that describes the system as a whole?
How can this value be broken down on a per-residue basis? Sorry if my
question is ignorant, but I do not have that much experience with amber.

Best regards,
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Received on Wed Mar 30 2011 - 07:00:02 PDT
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