forked from lijiext/lammps
|
…
|
||
|---|---|---|
| .. | ||
| README | ||
| bar.py | ||
| fdti.py | ||
| fep.py | ||
| nti.py | ||
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.