run_steric_resolution.py now accepts several alchembed-based command line arguments. run_steric_resolution_loop() now resets the value of consecutive_rounds_without_improvement after a round that improves the steric situation. The latter function should now also generate an alchembed-ready .mdp file and properly increment the round_number.
run_steric_resolution.py now accepts several alchembed-based command line arguments. run_steric_resolution_loop() now resets the value of consecutive_rounds_without_improvement after a round that improves the steric situation. The latter function should now also generate an alchembed-ready .mdp file and properly increment the round_number.

tylerjereddy/steric-conflict-resolution