reverting back to using bondtype instead of antechamber

choderalab / openmoltools

An open set of tools for automating tasks relating to small molecules

MIT License

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Closed hannahbrucemacdonald closed 4 years ago

hannahbrucemacdonald commented 4 years ago

Closes #279 and #295

This should fix the issue where antechamber is failing for bond type perception. Bondtype can be used as it's now shipped with AmberTools.