Dear all,
I have slightly different Position Restrains and Box sizes over my
lambda windows in an alchemical Free Energy Calculation in NVT ensemble
(I know that my calculated Free Energy Difference will not solely depend
on the mutation alone..)
What happens if I use replica exchange? What exactly is exchanged within
different windows: Only the coordinates or also the current simulation
box size?
Thanks in advance!
All the best
Johannes
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