openforcefield/smirnoff99Frosst: Version 1.0.9
2019
Addresses #89: Fixes torsion t56 , where SMIRKS [!1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4] should be [!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4] . The first means "not an isotope with mass 1" ( !1 ), but we intend for it to apply to all hydrogens, so it has been changed to !#1 .
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