cpptraj
cpptraj copied to clipboard
Interaction entropy
Dear Professor,
I greatly appreciate if you would guide me to how I can calculate by ambertools the Interaction entropy for protein-protein binding like in (https://doi.org/10.1021/jacs.6b02682, DOI: 10.1021/acs.jcim.6b00734, http://dx.doi.org/10.1063/1.4978893]).
Greeting, Hector.