Scymol

Scymol is an open-source, cross-platform software package that runs and analyzes Molecular Dynamics (MD) simulations with customizable atomistic models. Scymol provides a convenient graphical user interface (GUI) and universal compatibility, with tools for creating or importing single molecules, mixtures, or crystalline systems, defining the equations and parameters that govern the atomic interactions, and choosing and customizing numerical methods that solve for particle trajectories. The results can be processed using a number of data analysis and plotting tools.