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David L. Mobley edited this page Oct 14, 2016
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Most of the material relating to the SMARTY/SMIRKY samplers (for SMARTS- and SMIRKS-based chemical perception) and the Smirks Force Field (SMIRFF) format for FFXML is documented in README.md files in the smarty repository, as well as in help information for the relevant functions.
However, more detailed information on some of the material is provided here.
- The SMIRFF force field format: This documents our SMIRFF forcefield format as currently implemented, and notes some plans for the future as well.