Biomembrane simulations

Lipid parameters for Molecular Dynamics simulations of biomembrane have been updated to the most recent version of the GROMOS 54a8 force field to improve solvation properties in the head region.


Please cite:

Marzuoli I, Margreitter C, Fraternali F. (2019). Lipid Head Group Parameterization for GROMOS 54A8: A Consistent Approach with Protein Force Field Description. J Chem Theory Comput, 15(10):5175-5193. doi: 10.1021/acs.jctc.9b00509.

The resulting parameters and topology files can be found here.