search

openforcefield / open-forcefield-tools

Tools for open forcefield development
MIT License
8 stars 6 forks source link

Implement functionality producing parameterized molecules from OEMol and SMIRFF XML #9

Closed davidlmobley closed 8 years ago

davidlmobley commented 8 years ago

See SMIRFF format here https://github.com/open-forcefield-group/open-forcefield-data/issues/9 and discussion in #7 .

davidlmobley commented 8 years ago

Resolved by https://github.com/open-forcefield-group/smarty/pull/24