			compute fep examples
			====================

			* `CH4hyd` -- free energy of hydration of methane (very simple). FEP
			and TI methods.

			* `CH4-CF4` -- free energy difference of transforming methane into
			perfluoromethane, in water (simple). BAR method.

			* `CC-CO` -- free energy difference of transforming ethane into
			methanol, in water (more complex). FEP, TI and BAR methods.

lammps/examples/USER/fep/README
69c06791a580lammm-master

README
View Options