mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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Foyer modifications for "custom" forcefields #200

Closed chrisiacovella closed 7 years ago

chrisiacovella commented 7 years ago

Modify Foyer to accept a specific itp file and specific rules.py file (also make it so you can easily define rules in a notebook and pass them to foyer).

ctk3b commented 7 years ago

Moved: https://github.com/iModels/foyer/issues/31