Saving Significant Amount of Time in MD Simulations by Using an Implicit Solvent Model and Elevated Temperatures
Figure 3
NaCl runs in different temperatures using implicit/explicit solvent. (a) shows data of simulations with an implicit solvent model, while (b) corresponds to an explicit solvent model; that is, it involves explicit water molecules. A linear correlation between log (average dissolution time (ps)) and 1/ (1/°K) is manifested. The two points marked in red are outside the ideal temperature range (the sample is not distributed exponentially (see Table 2)).
