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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 use in constructing simula...
Crowley. . et al National Renewable Energy Laboratory
Apr 30, 2018
4 Resources
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Publicly accessible
4 Resources
0 Stars
Publicly accessible
NREL Eagle supercomputer jobs
High performance computing dataset with 11M+ jobs from NREL's Eagle supercomputer. These jobs were submitted to run on Eagle between Nov 2018 and Feb 2023. The data are sufficiently anonymized and do not include sensitive user or project data. HPC research community does not have ...
Duplyakin, D. and Menear, K. National Renewable Energy Laboratory
Feb 28, 2023
4 Resources
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4 Resources
0 Stars
Publicly accessible