Data for: “Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations”



This dataset relates to work carried out on the development of new algorithms to determine the crystallinity of triacylglycerides. MD simulations were carried out in GROMACS, while the analysis is carried out using Python.
Date made available4 Nov 2022
PublisherUniversity of Strathclyde

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