My master's thesis work was on MD simulations. My setups had around 150k atoms each, and it took months and hundreds of cores to finish any meaningful simulatio

My master's thesis work was on MD simulations. My setups had around 150k atoms each, and it took months and hundreds of cores to finish any meaningful simulation. I was incredibly jealous of that machine. But frankly I am still not convinced of the usefulness of the MD studies except for a few cases (docking studies, etc.).