GROMACS version: 2022
GROMACS modification: Yes/No
dear GROMACS users
I am working on a project using Martini 3 force field. I have simulated a membrane containing DOPC, DOPE, DOPS, POSM and CHOL, and I want to calculate the lipid tail order parameter for the inner and outer layers as well as area per lipid. However, I have encountered some difficulties in this process.
Could any one please share with me the methods and scripts that used to calculate these parameters in coarse-gained simulation?