Hello,

I am learning a little about molecular dynamics simulations. Currently using Amber and CP2k. Hoping to integrate CP2K into a distributed computing project using serialized computations. A friend of mine recently said Pymol is a fancy piece of software. Before I get invested in learning about it, I want to know its relevance to what I hope to do. I want to model chemical reactions and study their intermediate stages. I am looking for computationally light tools. Ones that use Semi-Empirical QM/MM.

Jack