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. 2014 Oct 22;119(29):9084–9090. doi: 10.1021/jp508813n

Table 1. Simulation Details of the Composition of All Simulations, Including Water Loading (w0), Number of AOT Molecules (nAOT), Counterions (ncounterions), Water Molecules (nH2O), Isooctane Molecules (niso), As Well As Production Run Time (t (ns)).

system w0 nAOT ncounterions nH2O niso t (ns)
AKA2 + restrained RM 6 76 3 Cl 456 ∼2300 50
AKA2 + unrestrained RM 6 76 3 Cl 456 ∼2300 50