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 0.008 bar. If I used
NPT emsemble in the second step, the box becomes smaller with the run time. I
want to know how to do when I want to simulate the liquid-vapor interface of a
solution at a low pressure.
Thanks in advance.
beibei
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