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. Author manuscript; available in PMC: 2011 Mar 9.
Published in final edited form as: J Chem Theory Comput. 2010 Mar 9;6(3):607–624. doi: 10.1021/ct900460m

Figure 5.

Figure 5

Na+Cl− pair in a SPC/E with a weak distance restraint. (a) PMF for the unrestrained pair (dash line) and restrained pair (solid line). (b) site-site distance distribution for Na+Cl− with a weak harmonic restraint. The expected distribution from the potential of mean force is the thick black line; RESPA MTS is the thin black line; FCE MTS with Langevin damping coefficients of γ =5, 10 and 20 ps−1 are colored gray, blue and red respectively.