Saving Significant Amount of Time in MD Simulations by Using an Implicit Solvent Model and Elevated Temperatures
Table 2
NaCl dissolution simulations using implicit solvent model at different temperatures. For each temperature, 50 repetitions were performed. P values of the Lilliefors statistical test are presented for each of the 3 distributions: normal, extreme value, and exponential. The null hypothesis is that the sample comes from the given distribution. An ideal range of temperatures was found (in bold), in which the dissolution times of the 50 repetitions are distributed exponentially. At extremely elevated temperatures the null hypothesis, according to which the distribution is exponential, was rejected (in italic).
