Other codes
DynDen A software to assess convergence of molecular dynamics simulations of interfacial phenomena (and printing dinosaurs).
Please see: M.T. Degiacomi, S. Tian, H.C. Greenwell, V. Erastova (2021), DynDen: Assessing convergence of molecular dynamics simulations of interfaces, Computer Physics Communications, Volume 269, doi.org/10.1016/j.cpc.2021.108126
Assemble! a program greatly simplifying the preparation of molecular dynamics simulations of polymeric systems. It allows the creation of the desired system of polymer chains from constituent monomers, packs the chains into a box according to the required concentration and returns all the files needed for simulation with GROMACS. Assemble! is developed in Python, and can be controlled both via terminal and a graphical user interface.
Please see: M. T. Degiacomi, V. Erastova, M. R. Wilson (2016), Easy setup of molecular dynamics simulations of polymeric mixtures with Assemble!, Computer Physics Communications, Volume 202, doi.org/10.1016/j.cpc.2015.12.026
