Hi,every one
I want to simulate the interface properties or interfacial phenomena in gas-fluid or fluid-fluid,and I know the formula of interfacial tension,this gives:
In discover,if use the NVT ensemble ,the three pressures are not been added in the simulation; if the NPT ensemble is used,the volume of the box will
change or the Lz will be not a fixed value. So,it seems that there is not a way to obtain the interfacial tension,do you have some good suggestion about
this question? or how do you calculate the interfacial tension in MS,even in discover? I wish your answer.
Thanks
qinjian