I am trying to fix the regions of my model to find energy. But when I use set force in P P S boundary type. My model will mess up.
So can you please tell me which command should I use?
( I am working with SW potential with silicon particles.)
compute new all temp
velocity all create 298.0 487639 temp new
fix 1 all nvt temp 298.0 298.0 100
fix 3 all temp/rescale 10 298.0 298.0 0.01 1.0
fix 2 boundary setforce 1.0 0.0 0.0