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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 parameters.zip contains the output topology and parameter files in CHARMM format suitable for…
NREL
data
lignin
CHARMM
molecular dynamics
parameterization
polymerization
feedstocks
force field
Submitted 04/30/2018 - 15:17 by Joshua Vermaas