Dear LAMMPS developers and users
I’m going to simulate TIP4P as rigid molecules and to remove drift I’d like to use the following commands:
velocity all create $T 123456 rot yes mom yes
fix 1 water rigid/nvt/small molecule temp $T $T 100
velocity water zero linear rigid 1
run 100
However, the warning below will appear:
WARNING: Changing velocities of atoms in rigid bodies. This has no effect unless rigid bodies are rebuild (…/velocity.cpp:74)
How can I get around that warning? Should I change the order of commands?
Bests