This package provides methods for performing free energy perturbation simulations with soft-core pair potentials in LAMMPS.

See the doc page for the fix adapt/fep command to get started.

There are example scripts for using this package in examples/USER/fep.

There are auxiliary tools for using this package in tools/fep.

The person who created this package is Agilio Padua at Université Blaise Pascal Clermont-Ferrand (agilio.padua at univ-bpclermont.fr) Contact him directly if you have questions.

Pair style morse/soft was contributed by Stefan Paquay, s.paquay at tue.nl Applied Physics/Theory of Polymers and Soft Matter, Eindhoven University of Technology (TU/e), The Netherlands Contact him in case of problems with this pair style.