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
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Fix typo in parameter `t56` #90

Closed bannanc closed 5 years ago

bannanc commented 5 years ago

As discussed on the openforcefield repository and cross posted here in issue #89 I've fixed the typo in t56 to be !#1 (not a hydrogen atom) as opposed to the previous !1 (not an isotope with mass 1).

davidlmobley commented 5 years ago

See also https://github.com/openforcefield/openforcefield/pull/268

Waiting on merging temporarily.

davidlmobley commented 5 years ago

@j-wags do we have versioning info sorted out now so that we can merge this?