Shefin Basheera check this tutorial with gmx_MMPBSA:

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/examples/Linear_PB_solver/

feel free to post any question in our group (https://groups.google.com/g/gmx_mmpbsa)

hope this helps!

Dear Shefin Basheera

You can use any tool for MMGBSA/MMPBSA analysis. I hope these links will help you out Article g_mmpbsa--a GROMACS tool for high-throughput MM-PBSA calculations

Article The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

I did MM-PBSA in AMBER

http://ambermd.org/tutorials/advanced/tutorial3/index.php

You can check my paper for extensive calculations.

1. https://valdes-tresanco-ms.github.io/gmx_MMPBSA/

2. https://www.computabio.com/gmx_mmpbsa-tutorial.html

https://youtu.be/goheM2OvfWk

Check this tutorial also

I also found Mario E. Valdés-Tresanco supplementary files very useful for Performing Free Energy Calculations with GROMACS