Although automated MD simulations are available in other visualization programs, such as YASARA Structure , the QwikMD plugin to VMD or commercial program packages such as MOE or Discovery Studio, these still require users to obtain and get used to a new, unfamiliar program and interface. Other options, such as the GROMACS Plugin to PyMOL (pymol.org, Schrödinger, LLC, 2018) and the Molecular Dynamics Simulation option in UCSF Chimera , still require expert knowledge (for ligand parameterization and MD simulation) and/or the non-trivial installation of MD software. There is thus a need for user-friendly, low-barrier access to MD simulation of protein-ligand complexes through a visualization program familiar to most structural biologists.