09 September 2015 1 2K Report

I'm working on the reaction of trivalent arsenic with tripeptide. I want to find the reaction mechanism or reaction pathway using QM/MM simulation. Before this I am trying QM/MM simulation using Gromacs, but I found some difficulties. I am trying using Gaussian because I think Gaussian was more simple. Is it possible?

Thank You in advance.

More Zulaikha Omar's questions See All
Similar questions and discussions