nhenriksen / speakeasy

Automates the conversion of SMIRNOFF parameters to AMBER force field files
MIT License
3 stars 2 forks source link

Update Benzene notebook for 0.4.1 toolkit, remove need for OE toolkit #5

Closed j-wags closed 5 years ago

j-wags commented 5 years ago

I've updated the Benzene notebook per the title, to aid @jaimergp's effort to debug this issue.