Data for: "Triacylglyceride Melting Point Determination Using Coarse-Grained Molecular Dynamics"



Python script to determine melting point onset of pure TAG crystals.
All average melting point and bootstrap plots.
Melting point determination decision tree.
All simulations carried out in GROMACS 2021.3 using the COGITO FF.
Date made available20 Apr 2023
PublisherUniversity of Strathclyde

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