Two things made me really happy. First, these articles(1,2) showed me how to preprocess PDB files for FMO calculations in a straightforward way. Second, thanks to faster CPUs these days, I found that FMO calculations on my MacBookAir with about 300 residues can now finish in just one day. That’s pretty amazing—20 years ago, it would have taken nearly a week using around 20 cluster machines!

An example is here