Why I'm getting a high pressure while I'm running MD simulation (LAMMPS) with DPD thermostat?

Hi, I'm trying to simulate Tip3p-Ew rigid water model using DPD thermostat in NVE ensemble. I'm using shake algorithm to constraint bonds and angles. I'm getting a very high pressure (10^14) even...

18 April 2023 7,983 0 View