layout | permalink | title | excerpt |
---|---|---|---|
single |
/smirnoff/ |
The SMIRNOFF forcefield specification |
An open source, open science, and open data approach to better biomolecular force fields |
You can find the SMIRNOFF force field specification here. And check out our preprint on SMIRNOFF and SMIRNOFF99Frosst, our new general purpose small molecule force field.