Files
lammps/src/USER-FEP
2015-02-17 19:26:57 -05:00
..
2015-02-17 19:26:57 -05:00

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.