GROMACS version: 2023.2
GROMACS modification: No
Hi all, I would like to decouple the lennard-jones (LJ) interaction between two coarse-grained (MARTINI) beads of the same molecule. These beads obviously doesn’t have any bonded interactions between them, so only the non-bonded interactions. Is it possible to do that with GROMACS? Here, the whole idea is to decouple the LJ interactions between these two particles over lambda from 0 to 1 at some interval. So, when lambda is equal to 0, there will be a strong LJ interaction, and with the increase in lambda value, the LJ interaction vanishes
Thanks