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New Repo: ezAlign April 04, 2023

ezAlign provides coarse-grain to atomistic molecular coordinate and topology conversion for molecular dynamics simulations. ezAlign is designed to convert complex, solvated biological systems including lipid membranes with drug-like molecules using GROMACS. Single molecule coordinate, topology, and mapping may be specified during execution using the appropriate command-line options. A number of commonly simulated biological molecules are currently provided.