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

decaiyu dyu at dow.com
Wed Feb 26 20:09:25 CET 2014

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
Is there a simple way to do that?
The molecules on the top of the layer causes some trouble.


View this message in context: http://gromacs.5086.x6.nabble.com/how-to-increase-vacuum-thickness-in-a-periodic-system-tp5014828.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list