Boron parameters (not in AMBER)

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

Boron parameters (not in AMBER) #22

Closed bannanc closed 7 years ago

bannanc commented 7 years ago

This is already an issue in smarty. The current plan is to pick a few molecules and run a few QM calculations to get rough estimates for current parameter. Right now, there is no Boron in the AMBER world.

bannanc commented 7 years ago

Added to issue #46