Tracking the development of ECC-lipids - classical MD lipid models with implicitly embedded electronic polarization through Electronic Continuum Correction (ECC).
Directory structure and working style is highly inspired by open-collaboration NMRLipids projects, with its GitHub repositories.
Repository MATCH is often also employed as a data source and a tool with analysis scripts.
-
- proj. II: lipid-ion interaction, published in PCCP, 2017, DOI: 10.1039/C6CP04883H
- proj. IV which focuses on the structure of other lipid head groups (PS, PG, PE)