11 November 2015 4 2K Report

My molecular dynamics simulation was performed in 1.5 M KCl aqueous solution or 1.5 M  KCl ethanol solution (v:v=1:1). The oplsaa force field and spc216.gro were used. The results showed that KCl aggregated with 10 ns of simulation. Did anyone ever face the same problem?

Many thanks

Shaoqu xie

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