velocity rescaling for kinetic energy

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1

Hi, Guys,

I am using LAMMPS to add/remove a small amount of heat dE from one group of atoms, but i want to modify the kinetic energy through velocity rescaling procedure in this group. I checked the command, there are only 2 commands: fix ID group-ID temp/rescale N Tstart Tstop window fraction" and “velocity group-ID scale temp”. But both of them need a temp value. Unfortunately, i didnt know the temp. And i didnt know how much the temp will increase/decrease after add/remove energy. Furthermore, it need to go thousands steps. Anyone who has good idea? Thanks a lot!

Have a good weekend!

Bests,

Yanfei

2

Take a look at the fix heat command. It removes
energy from a group of atoms at a rate you specify.

Steve