lammps/tools/fep0f3b2544a13cmaster
lammps/tools/fep
0f3b2544a13cmaster
README
README
These are utility scripts provided as part of the USER-FEP package for free energy perturbation simulations with soft-core pair potentials in LAMMPS.
The person who created these tools is Agilio Padua at Université Blaise Pascal Clermont-Ferrand (agilio.padua at univ-bpclermont.fr) Contact him directly if you have questions.
c4science · Help