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  • Lignin Forcefield Source Datafiles

    Three archives are provided here comprising the development of a CHARMM36-compatible lignin forcefield suitable for use in biomolecular simulations. One archive contains the output topology and parameter files in CHARMM format suitable for use in constructing simula...
    NRELdataligninCHARMMmolecular dynamicsparameterizationpolymerizationfeedstocksforce field
    submitted Jul 25, 2018 by Joshua Vermaas