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Example OpenMM script for running funnel metadynamics on a host-guest system in vacuum. DeltaF typically converges in 20 ns, which on my laptop GPU completes in 30 min, at 980 ns/day. If you do not have CUDA installed, try using 'OpenCL' or 'CPU' as platforms for OpenMM simulations.

Included analysis.ipynb for how to visualise the results and analyse the simulation.

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