Hello, everyone,
being unsatisfied with the misuse of gmx order, we have developed a tool called gorder for calculating lipid order parameters from atomistic, united-atom, and coarse-grained Gromacs simulations. It’s completely force-field independent and can calculate order parameters for both planar and curved membranes, for each leaflet independently, as well as in a specified part of the membrane. It can also produce 2D projections of order parameters, estimate errors, concatenate trajectories, and is much faster than any other similar tool.
Here is the github repository describing how to install gorder: GitHub - Ladme/gorder: Calculate lipid order parameters from Gromacs simulations
Here is the manual describing how to use gorder: What is gorder? - gorder manual
Here is our preprint describing gorder in detail, validating it, and benchmarking it: https://www.biorxiv.org/content/10.1101/2025.05.07.652627v1
Let us know what you think!
Ladislav Bartoš | ladme@mail.muni.cz