Cordina, R. (Creator), Smith, B. (Creator), Tuttle, T. (Creator) (
4 Nov 2022). Data for: “Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations”. University of Strathclyde. atomtypes(.atp), ffbonded(.itp), ffnonbonded(.itp), forcefield(.itp), eq_273K_373K_50ns_NPT_anisotropic_bar(.mdp), article_script(.py), Figure_1(.jpg), Figure_2(.jpg), Figure_3(.jpg), Figure_4(.jpg), min_parameter_file(.mdp), TOC_graphic(.jpg), topology_unit_cells(.zip), melting_eq_3(.edr), melting_eq_3(.gro), melting_eq_3(.log), melting_min(.gro), melting_min(.trr), melting_eq_3_pbc(.xtc), sim_box_1_4(.gro), melting_min_coloured(.gro), mixed_eq(.edr), mixed_eq(.log), mixed_eq(.gro), mixed_min(.gro), mixed_min_coloured(.gro), sim_box_1_6(.gro), mixed_eq_pbc(.xtc), SMILES(.csv), eq_293K_5ns_NPT_anisotropic_bar(.mdp), readme(.txt).
10.15129/f711eca0-b564-43ec-8c6e-7178ba78f4eb