Added FF for sulfones and combined FF.#3
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arosale4 merged 1 commit intoQ2MM:masterfrom May 17, 2016
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Added the FF for sulfones [1]. Also combined all existing FFs into a single
file. The ideal goal behind the combined.fld will be to ensure all of our
parameters work together harmoniously.
Right now, this doesn't serve much use as the existing Rh FF requires
special atom types.
[1] Hansen, Eric; Limé, Elaine; Norrby, Per-Ola; Wiest, Olaf. Anomeric Effects
in Sulfamides. J. Phys. Chem. A, 2016, ASAP.
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Added the FF for sulfones [1]. Also combined all existing FFs into a single
file. The ideal goal behind the combined.fld will be to ensure all of our
parameters work together harmoniously.
Right now, this doesn't serve much use as the existing Rh FF requires
special atom types.
[1] Hansen, Eric; Limé, Elaine; Norrby, Per-Ola; Wiest, Olaf. Anomeric Effects
in Sulfamides. J. Phys. Chem. A, 2016, ASAP.