openfe_analysis_test_data

data migrated from figshare: openfe_analysis_simulation_output: migrated from https://figshare.com/articles/dataset/OpenFE_1_3_0beta_example_results_files/28263203 500ps complex simulation output openfe_analysis_skipped: migrated from https://figshare.com/articles/dataset/OpenFE_1_3_0beta_example_results_files/28263203 Relative free energy of a TYK2 benchmark system transformation using a beta release of OpenFE 1.3.0. Positions are written to file (simulation.nc) once every 100 frames, and velocities are never written. openfe_analysis_septop HIF2a, transformation ligand 1 to 155 ox2_solvated_complex.pdb: Solvated protein-ligand-membrane complex from the ox2 system