[gmx-users] Normal to see volume expansion

Jun Qian jqian at odu.edu
Tue May 11 03:07:14 CEST 2004


When I put a simple cube box of SPC water molecules and have 4.5v/nm
electric field. I see volume expand hugely, and pressure goes from negative
to positive to negative to ... all the simulation time.

My question is how they adjust volume and pressure at the same time in
Gromacs. It seems Pressure and Volume are relative by Pressure * Volume
equal something...

Thank you in advance!


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