GROMACS modification: No
Suppose two groups A and B (e.g, a protein and a ligand).
We want to pull one group to dissociate.
Then steered MD (SMD) would be a good choice. SMD pulls the centre of mass of one group to dissociate it from the other group.
Then I have a question:
(1) Does each atom feel the pulling forces?
(2) Do the pulling forces act only on the COM of one group?
(3) Do the pulling forces act on each COM of the two groups with the force direction being opposite?