Re: [gmx-users] how to increase vacuum thickness in a periodic system

2014-02-26 Thread Dr. Vitaly Chaban
editconf -box X Y Z Dr. Vitaly V. Chaban On Wed, Feb 26, 2014 at 7:58 PM, decaiyu wrote: > Dear All, > > I ran a NVT simulation with a layer of oil+vaccuum. > Because of periodic boundary condition, there are some molecules on the top > of vaccuum layer. > Now I want to increase the vaccum thi

[gmx-users] how to increase vacuum thickness in a periodic system

2014-02-26 Thread decaiyu
Dear All, I ran a NVT simulation with a layer of oil+vaccuum. Because of periodic boundary condition, there are some molecules on the top of vaccuum layer. Now I want to increase the vaccum thickness so that I can add some water in it. Is there a simple way to do that? The molecules on the top of