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. Author manuscript; available in PMC: 2015 Dec 1.
Published in final edited form as: J Comput Electron. 2014 Jul 17;13(4):826–838. doi: 10.1007/s10825-014-0594-8

Fig. 1.

Fig. 1

Dual temperature bath all-atom MD simulation. (a) All-atom system containing 1 M aqueous solution of potassium chloride. The system is a hexagon prism. Semi-transparent red and blue stripes illustrate two thermostat regions maintained at different temperature (TH = 365 K and TC = 295 K). Water is shown as a semitransparent molecular surface. Potassium and chloride ions are shown as green and yellow spheres, respectively. (b) Steady-state distribution of temperature in the system shown in panel a. The temperature is averaged over slabs of equal thickness (5 Å).