[AMBER] Widom insertion method, calculate chemical potential

From: Alexej Jerschow via AMBER <amber.ambermd.org>
Date: Thu, 13 Apr 2023 09:31:56 -0400

I would like to calculate the chemical potential of a gas molecule in organic solvents with the Widom particle insertion method. Would anyone be able to point me to a good example for how to implement this in Amber?
Thank you
Alexej


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Received on Thu Apr 13 2023 - 07:00:02 PDT