Parameters that need further investigation

openforcefield / smirnoff99Frosst

A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format

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Parameters that need further investigation #49

Open bannanc opened 7 years ago

bannanc commented 7 years ago

I will use this issue to list functional groups and parameters that need to be investigated further. This will include any parameters we added to smirnoff99Frosst as estimations from GAFF2 or by making existing parameters more general to cover more chemical space. Most of these were added in PR #43