Doing MMPBSA calculations in Gromacs version 2021.3

User discussions
1

GROMACS version:
GROMACS modification: Yes/No
Here post your question

Hi, please advice how to carry out MMPBSA energy calculations using the latest version of Gromacs 2021.3.

Thank you

2

Have you tried searching the forums?
https://gromacs.bioexcel.eu/search?q=MMPBSA