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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More general ether torsion #15

Closed bannanc closed 7 years ago

bannanc commented 7 years ago

I added a more general ether torsion, as discussed in issue #14

bannanc commented 7 years ago

@cbayly13 Here's the fix we came up with for the not general enough ether torsion

davidlmobley commented 7 years ago

Thanks, @bannanc . Merging.