Re: [gmx-users] how to simulate liquid-vapor interface of a solution at a low pressure

2008-06-12 Thread Mark Abraham
beibei wrote: > Hi all, >I want to simulate the liquid-vapor interface of I lithium > bromide solution at 303K and 0.008bar. First I put the solution to a > cubic box and used NPT ensemble to simulate. Then, I enlarged the box to > form two liquid-vapor interface,and used NVT ensemble,

[gmx-users] how to simulate liquid-vapor interface of a solution at a low pressure

2008-06-11 Thread beibei
Hi all, I want to simulate the liquid-vapor interface of I lithium bromide solution at 303K and 0.008bar. First I put the solution to a cubic box and used NPT ensemble to simulate. Then, I enlarged the box to form two liquid-vapor interface,and used NVT ensemble, but the pressure is not