Sample simulation files for "Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields"

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Description

Sample simulations input/output files used for the publication titled "Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields". Please read the README files for more details and refer to the main manuscript for more details: https://pubs.acs.org/doi/full/10.1021/acs.jpclett.4c00428
Date made available25 Apr 2024
PublisherTU Delft - 4TU.ResearchData

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