CompChem.07.01 Quantum Mechanical/Molecular Mechanical (QM/MM) Models Part I

[@madmuffin2511]

Hi there, can you tell me: Is there for each step in MM (maybe 5 fs) one whole SCF calculation in QM ? So lets say using DFT: one cycle takes 300 seconds and then maybe 10 cycles per MM step. If I want to simulate 1ns, I would need: 1/5*10**6*300/3600/24/365 = 1.902 So I would need almost 2 yeas for that ?!