[gmx-users] ligand-protein simulation

[xiao]

Dear all gromacs users,
 
I have run a protein-ligand simulations. However, the position of the ligand is not reasonable after 10ns simulation. There is no problem with the force field paramers of the ligand. I am trying to constrict the ligand move for 500ps simulation. But i do not know whether it will work. Any good idea is appreciated :)
 
Best wishes
 
Fugui