Data for: "What is the Optimal Dipole Moment for Non-Polarizable Models of Liquids?"



This data set includes all input files for molecular dynamics (MD) simulations carried out for the above article. The data is organised into two sections, mirroring the paper: 1) QUBE simulations, including Force Balance parameter optimisation; 2) PolCA simulations.
Date made available17 Feb 2023
PublisherUniversity of Strathclyde

Cite this