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Enhanced GROMACS: toward a better numerical simulation framework

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0 Published in 2019 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-019-4232-z

Abstract: The GROMACS software package represented a promising direction toward the molecular dynamic simulation and there is ongoing interest to extend it. In this study, we introduce a new component into the conventional package with the… read more here.

Keywords: enhanced gromacs; better numerical; framework; gromacs toward ... See more keywords