This dataset relates to work carried out on the development of a new MD coarse-grained force field for triacylglcyerides. MD simulations were carried out in GROMACS, while the analysis is carried out using Python.
Cordina, R. (Creator), Smith, B. (Owner), Tuttle, T. (Owner) (19 Jan 2023). Data for: "COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides". University of Strathclyde. PURE_Dataset(.zip). 10.15129/9fd77c80-c43e-4f18-9cfc-420df756a36d