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mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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energy minimization #202

Closed chrisiacovella closed 7 years ago

chrisiacovella commented 7 years ago

It would be good to be able to use UFF to energy minimize a structure made in mBuild. This of course would require that we validate that UFF works in Foyer.

ctk3b commented 7 years ago

See https://github.com/iModels/mbuild/issues/10