Hello LAMMPS users,
Is there any command to subtract out the center-of-mass velocity of a region in the temperature calculation? I found that temp/com does it for a group but not for a region.
Bests,
Mohyeddin
You can define a group to be atoms in a region (see group command),
then use temp com.
If you want something more dynamic, then the answer is no. That
requires 2 kinds of “bias” in the temp calculation (see Section 6.16),
one for the COM subtraction, the other for the region exclusion.
LAMMPS currently allows one bias for temperature computations,
but not two.
Steve