constph.py            - Python module implementing constant-pH methodologies in Python
cnstphgbforces.py     - CustomGBForces that exclude contributions from discharged protons
cpinutil.py           - tool for identifying titratable groups in AMBER prmtop files
amber-example/        - example system set up with AmberTools constant-pH tools
cpinutils/            - utilities for identifying titratable groups in AMBER prmtop files
calibration-implicit/ - terminally-blocked amino acids parameterized for implicit solvent relative free energy calculations
calibration-explicit/ - terminally-blocked amino acids parameterized for explicit solvent relative free energy calculations
references/           - some relevant literature references