/tools/Ambertools-OpenMM-MD
quantaosun/Ambertools-OpenMM-MD
Ambertools-OpenMM-MD is a repository designed to facilitate molecular dynamics simulations of protein-ligand complexes, particularly for beginners. It utilizes Ambertools and OpenMM to streamline the simulation process and includes resources for analyzing protein-ligand interactions.
Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another notebook to finish the simulaiton on Colab was attached as well.
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