Hello,
When I use fix_deform to shrink a simulation box down to a desired density I’m getting the pressure of the system to be negative. The density I’m trying access has been simulated by others in the literature, and the simulation box contains a simple bead-spring polymer. The monomers interact via a repulsive LJ potential, so the pressure shouldn’t be negative. Does anyone have any suggestions?
Thank you for your time,
Landry