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mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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Better monomers #201

Closed chrisiacovella closed 7 years ago

chrisiacovella commented 7 years ago

It would be good to just modify the monomers for CH2 and such to be more chemically realistic, i.e., better hydrogen orientation and angles between carbons.

chrisiacovella commented 7 years ago

I made an example where I changes the port locations and atom locations for CH2

ctk3b commented 7 years ago

See https://github.com/iModels/mbuild/issues/196