How to run molecular dynamics on materials studio to study the corrosion inhibition effect of certain molecules?

I am new to materials studio and molecular dynamics. I tried to replicate a paper by Guiwu Lu et al (https://doi.org/10.1016/j.jmrt.2021.12.140). 1) I couldn't set up some parameters and would...

02 December 2022 3,316 0 View