Hi!
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,
GT
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 30 2011 - 07:00:02 PDT
