choderalab / openmoltools

An open set of tools for automating tasks relating to small molecules
MIT License
63 stars 30 forks source link

Debug issues with generateForceFieldFromMolecules #224

Open jchodera opened 8 years ago

jchodera commented 8 years ago

Something may be wrong with generateForceFieldFromMolecules:

cc: https://github.com/choderalab/perses/pull/209#issuecomment-222532334