Hi everyone, I have trouble doing constant temperature MD. What I want is to run a system for a long time at a constant temperature of 3500K. I put the tags .. initial temp=300K final temp=3500K tau relax = 600 fs (with time step 1.5fs = 400steps) My understanding is the system takes 400 steps to get the temp 3500K and then stays at that temp for the remaining steps.... but I never get that (it keeps going down) I would appreciate any suggestions Binay
