[ESPResSo-users] Question about simulation of water
From:
Fei Zhang
Subject:
[ESPResSo-users] Question about simulation of water
Date:
Mon, 29 Sep 2014 16:10:44 -0400
Dear All,
I am doing a simulation of pure water using Espresso now. However, when I did the NVT simulation, the pressure always blow up. I used SPC/E water model and used rigid bond for the bond between O and H. Can anyone help me with this problem?