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Gervasiolab / OpenBPMD

MIT License
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implementation of binding pose metadynamics (BPMD) #4

Closed amarye closed 1 year ago

amarye commented 1 year ago

Could you please provide us example to perform binding pose metadynamics (BPMD)?

dlukauskis commented 1 year ago

The examples/ directory already has one system you can test this on.