[lammps-users] Maybe there a bug in velocity command or fix tem/rescale


When I use the in code as follows. After I do energy minimizing, the error “ERROR: Attempting to rescale a 0.0 temperature” appears when velocity command is processed. If I delete the velocity, the fix temp/rescale command does not give an error as the above. I guess the error should not be designed for velocity command but for the fix temp/rescale, does it?

If I add your 1st 3 lines to the bench/in.lj script, I see no such problem. Of
course I used group all instead of dpwa. Are there any atoms in the dpwa group?