openforcefield / smirnoff99Frosst

A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
Creative Commons Attribution 4.0 International
28 stars 9 forks source link

Fix 5-membered ring angle parameter and README links #85

Closed bannanc closed 5 years ago

bannanc commented 5 years ago

Fix the SMIRKS pattern for the 5-membered ring angle parameter as discussed in issue #84. I also fixed some broken links in the main README.

bannanc commented 5 years ago

I updated capitalization of smirnoff99Frosst to SMIRNOFF99Frosst per the discussion on Slack.