[gmx-users] Simulation with vacuum interface

[Li, Shi]

Dear GMX user,

I have a system box with half liquid molecules and half vacuum(vacuum on
the z-direction), I want to apply an NPT simulation to study the
behavior on the liquid-vacuum interface. Normally the box will just
shrink to fit the liquid. Is there a way to apply NPT on the system while
maintaining the vacuum space?

Many thanks.

Shi