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      LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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          VMD: Visual molecular dynamics

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            GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

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              Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

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                Journal
                Computer Physics Communications
                Computer Physics Communications
                Elsevier BV
                00104655
                February 2022
                February 2022
                : 271
                : 108171
                Article
                10.1016/j.cpc.2021.108171
                91860595-2bde-466d-a198-ad3de1ebf3ec
                © 2022

                https://www.elsevier.com/tdm/userlicense/1.0/

                http://creativecommons.org/licenses/by-nc-nd/4.0/

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