Published April 27, 2022
| Version v1
Dataset
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example perturbation free energy data (GROMOS format)
Description
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