See also

• Packmol: A package for building initial configurations for molecular dynamics simulations.

• CellListMap.jl: Efficient and customizable implementation of cell lists, which allows the computation of general properties dependent on distances of particles within a cutoff, for example short-range potentials, forces, neighbor lists, etc.

• MDLovoFit: Automatic identification of mobile and rigid substructures in molecular dynamics simulations and fractional structural fluctuation analysis.