langevin thermostat versus Nosé-Hoover thermostat

Please reply to the list, not to me. :slight_smile:

There seems to be something fishy going on but it’s impossible to reproduce your output without the data file.

Some things that seem weird is that your damping time and time step are quite small.

Also, you might want to try adding a fix enforce2d. Do you see anything funky going on in your dump files?