David Koes edited Gromacs_cite_Pronk_2013_is_a__.tex  about 8 years ago

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Gromacs \cite{Pronk_2013} is a complete and well-established package for molecular dynamics simulations that provides high performance on both CPUs and GPUs. It can be used for free energy and QM/MM calculations.  MEPSA (Minimum Energy Pathway Analysis) \cite{Marcos_Alcalde_2015} provides tools for analyzing energy landscapes and pathways.