Skip to main content
. Author manuscript; available in PMC: 2015 Nov 3.
Published in final edited form as: J Chem Theory Comput. 2014 Mar 11;10(3):1150–1163. doi: 10.1021/ct400988e

Figure 6.

Figure 6

First shell residence time of water molecules obtained from the Na+ simulations. The plot shows the results obtained using fixed charges with GROMOS96 parameters (black, Na1), fluctuating charges with GROMOS96 parameters (dashed red, Na2), fluctuating charges modifying only σ (dot-dashed blue, Na3) and fluctuating charges modifying both σ and ε (dotted green, Na4).