/simulation_data COSMOpart: for membrane, single lipid molecules, QSMs, each system will have /input_files /output_files /run_scripts The results of PMF of QSMs are also included in spreadsheet USpart: For each 4 QSMs, they'll have /input_files /output_files /run_scripts The raw xvg and tpr files required to generate PMF using wham are also included in the output_files/ folder