[gmx-users] Interaction energy

Nick Johans johans.nick93 at gmail.com
Thu Nov 22 17:41:29 CET 2018


I am beginner in MD. Maybe it is not a wise question but i want to
calculate the interaction energy between protein and ligand and also PMF in
different distances. But i don't know what is the didference between PMF, i
mean free energy in particular(by umbrella sampling) and the interaction
energy (by g_energy tool) in my case?

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