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OpenMM: Difference between revisions
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OpenMM<ref name="OpenMM_home">OpenMM Homepage: https://openmm.org/</ref> is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that makes it unique among MD simulation packages. | OpenMM<ref name="OpenMM_home">OpenMM Homepage: https://openmm.org/</ref> is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that makes it unique among MD simulation packages. | ||
= Running | = Running a simulation with AMBER topology and restart files = <!--T:2--> | ||
== Preparing Python | == Preparing the Python virtual environment == <!--T:3--> | ||
<!--T:4--> | <!--T:4--> | ||