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Parameters that need further investigation #49

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bannanc opened this issue Apr 6, 2017 · 0 comments
Open

Parameters that need further investigation #49

bannanc opened this issue Apr 6, 2017 · 0 comments

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@bannanc
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bannanc commented Apr 6, 2017 •
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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
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