Dear everyone，
i want to use gromacs to perform the steered molecular dynamcs simulation.
My system is the protein-ligand complex in the center of the box an i want to
pull out of the ligand form the protein ative site. i have set the pbc in my
mdp file. However, after simulation, i find that the ligand out of the box
and get into the next unit cell. How does this make sense? should i the box
larger to keep the liand in the original unit cell?
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