lammps/tools/fepcf6f504977cbmaster
lammps/tools/fep
cf6f504977cbmaster
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.
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