TINKER-OPENMM:Amoeba

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Official AMOEBA parameters are distributed with Tinker: https://github.com/jayponder/tinker/params/:


Use POLTYPE for new drug ligands:


Recent updates

    • Halegen compounds (2014): Mu et al, JPCB 2014, 118 (24), pp 6456. Not yet in official release of small molecule params.
    • Mg, Ca ions (2017): minor update included in ameobapro13.prm in summer 2017