Update to g_mmpbsa as a Python package

[Rajendra Kumar]

Dear All,

I have updated the g_mmpbsa as Python package. Now g_mmpbsa contains several sub-commands (https://g-mmpbsa.readthedocs.io/en/latest/commands/index.html). The main command g_mmpbsa run is very similar to other GROMACS' newer commands (https://g-mmpbsa.readthedocs.io/en/latest/commands/run.html#command-summary). This updated g_mmpbsa is compatible with any GROMACS version. It is very easy to install with either pip or pipx. It can be also easily installed on MacOS apart from Linux.

g_mmpbsa has new home and new website as follows:

• Github repo: https://github.com/rjdkmr/g_mmpbsa/
• Documentation: https://g-mmpbsa.readthedocs.io/

With best regards,

Rajendra