Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants."

Simulation input scripts to produce the data presented in the manuscript "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants." All simulations were carried out using the GROMACS simulation package.

The folders contain the two considered lipids, 'DP-DGTS' and 'DPPC', respectively. Each folder, contains the corresponding 'topology' and the simulation inputs for the 'gel' and 'fluid' phases. Subfolders correspond to the different hydration levels (waters per lipid, 'wpl') as well as the python scripts to produce the solvated bilayers ('construct_bilayer'). The GROMACS simulation parameters are given in 'parameters'.