GROMACS version: 2020.4
GROMACS modification: No
I would like to apply a constant force to water molecules in a certain region of my system. I see that the option “acc-grps” can apply a constant acceleration (which should be the same as a constant force since the masses are constant), but this is only applicable to static selections. Is there some other mdp option that might allow me to do this (apply a constant force to a geometric region), or should I be using a plugin like PLUMED? It seems like it should be relatively easy to implement, but I’ve seen in other posts that mdrun does not seem to handle dynamic selections.