<reponame>MD-Studio/lie_ti<filename>tests/gromacs_ti.py
# -*- coding: utf-8 -*-

"""
file: gromacs_ti.py

Functions for setting up a Gromacs based Thermodynamic Integration (TI)
calculation.
"""


# -*- coding: utf-8 -*-

"""
file: gromacs_ti.py

Functions for setting up a Gromacs based Thermodynamic Integration (TI)
calculation.
"""
# -*- coding: utf-8 -*- file: gromacs_ti.py  Functions for setting up a Gromacs based Thermodynamic Integration (TI) calculation.