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. 2021 Aug 10;121(17):10666–10741. doi: 10.1021/acs.chemrev.0c01266

Table 5. Molecular Dynamics Simulation Codes.

software ref web site
LAMMPS Plimpton266 https://lammps.sandia.gov
GROMACS Abraham et al.267 http://www.gromacs.org
DL_POLY Todorov et al.268 http://www.ccp5.ac.uk/DL_POLY