GROMACS version: 2018.3
GROMACS modification: No
Hello Gromacs users,
I am trying to simulate a system where some of the particles (type-A) obey WCA potential and some (type-B) obey an attractive potential (user defined). And there A-B interaction follows another (user defined) poential form.
I have used tabulated potentials but not multiple tables simultaneously.
Is it possible with Gromacs to define different sets of interaction rules for different pairs?
If yes, please guide me to a reference/discussion/tutorial.
Best regards,
Sayantan