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Forces on the titration coordinate for Lys obtained with the GRF and FSh schemes. Top: instantaneous force (green) at λ = 0:5 as a function of simulation time. Cumulative averages are shown in black. Middle: average force with standard deviation at different λ values. Black line is the linear fit. Bottom: Potential of mean force along λ. Black and red curves refer to the simulations without and with a chloride ion, respectively.
