{"knowledge_schema": {"broad_category": "Chemistry \u2192 Molecular Dynamics \u2192 Molecular Modeling", "refinement": "This problem involves selecting appropriate partial charge values for atoms in a molecular dynamics simulation of methanol, focusing on the electrostatic interactions between atoms.", "specific_scope": "The task is to choose a set of partial charges that are not derived from established models but are reasonable for simulating the behavior of methanol in a molecular dynamics context.", "goal": "Identify a set of partial charge values for the atoms in methanol that can be used in a new molecular dynamics model."}, "summary": "In this task, you are required to select partial charge values for the atoms in methanol for use in a molecular dynamics simulation. The focus is on ensuring that the chosen values reflect the electrostatic properties of the molecule while avoiding established models. The goal is to find a suitable set of charges that can accurately represent the interactions within the methanol molecule during simulations."}