To automate the setup and running of these simulations we have developed and released an open source Python package called TIES MD which is available online 1 . This study uses the existing input files from previous research which works with TIES MD; novel input ligand transformations can be generated using an online service, TIES 20 2 . The combination of TIES MD and TIES 20 allows anyone to freely and easily use the TIES protocol to calculate binding free energies.