What is gorder?

gorder is a command-line tool that aims to provide a comprehensive, reliable, simple, and fast way to calculate atomistic and coarse-grained lipid order parameters from Gromacs simulations.

The primary (and possibly naïve) goal of gorder is to completely replace the use of gmx order for atomistic and coarse-grained systems. gmx order is a tool still widely used in the Gromacs community despite its tedious usage and the well-known fact that it produces incorrect results for many systems [1].

gorder also offers many additional features, such as leaflet classification or construction of ordermaps.

gorder is written in Rust and is also available as a Rust crate.