fix NVT problem

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1

Hi, LAMMPS users,

I used “fix 1 flow nvt temp 83.3 83.3 100” to update the velocity and position of atoms. The disired temperature value is 83.3K. But log file showed that the temperature value is not the desired value. Instead the temperature value is always around 12.0985 K even after 600000 steps. By the way, i used real units. Anybody know how to deal with such questions? Thanks a lot!

Bests,

Yanfei

2

Without seeing the rest of the input one can only guess. You apply the thermostat to a subset of atoms. Are you looking at the temperature of this subset? Or the entire system? Axel.