example perturbation free energy data (GROMOS format)
Dražen Petrov · Zenodo (CERN European Organization for Nuclear Research) · 2022
example perturbation free energy data used to show the usage of the simulation update scheme feature of the SMArt toolkit - available at https://github.com/drazen-petrov/SMArt data contains: GROMOS format: perturbation of a histone tail H3K4 lysine trimethylation mark bound to the Sp100C PHD finger