Hi All,
Thank you all for using g_mmpbsa extensively.
We introduced g_mmpbsa almost 11 years ago to perform MM/PBSA binding energy calculations using GROMACS, earning over 4000 citations since then. Despite not updating it for 9 years after GROMACS-5.1, its usage continued to grow, reaching around 700 citations per year.
Recently, I updated g_mmpbsa into a Python package, making it easy to install and use with command-line options similar to any GROMACS tool. I hope it remains valuable to the community.
Publication: https://pubs.acs.org/doi/abs/10.1021/ci500020m
Github repo: GitHub - rjdkmr/g_mmpbsa: MM-PBSA method for GROMACS. For full description, please visit homepage:
Documentation: https://g-mmpbsa.readthedocs.io/
Thanks,
Rajendra