Can anyone suggest me the proper way to perform MMPBSA using Gromacs ??
You can use the g-MMPBSA script for GROMACS trajectories. Please follow the links
Article g_mmpbsa--a GROMACS tool for high-throughput MM-PBSA calculations
https://rashmikumari.github.io/g_mmpbsa/
Raju Dash Please share the mdp file as well.
Thank you soo much for responding to my question Raju Dash .
Regards,
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