Are mdp parameters set based on force fields?

User discussions
1

GROMACS version: 2024.1
GROMACS modification: No

Hello,
This might be a very beginner question but are mdp parameters such as vdw modifier set based on force field? Should one read in the original force field publication to know what parameters to use or is it stated elsewhere?

I heard in a lecture that CHARMM and AMBER force fields should use different vdw parameters.

Any advice or direction to helpful resources is appreciated.

2

Yes, some of the parameters depend on the force field. The original force field publications are good to read. See Force fields in GROMACS - GROMACS 2024.3 documentation for more information.