Page Comparison

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Openff_1.3.1a with the parameters a30 and a31 rolled back to smirnoff99frost values - in purple

Almost all of them the 1.3.1a geometries overlap (only a single color is seen) with 1.3.0 or closely match. From Hyesu’s observation the discrepancy in tetrahedral angles is seen in MD simulations rather than in geometry optimizations.

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