[gmx-users] Can we connect two boxes together for the simulation?

Dr. Vitaly Chaban vvchaban at gmail.com
Tue Jun 4 16:07:06 CEST 2013

editconf is a nice tool to create vacuum in your box. You can then insert
one of your box into another box using cat box1.gro box2.gro, just remove
the very last line in box1.gro.

Dr. Vitaly Chaban

On Tue, Jun 4, 2013 at 2:46 PM, Bao Kai <paeanball at gmail.com> wrote:

> Hi, all,
> I want to do NPT simulations with different compositions first. Then I want
> to connect the two boxes to continue the NPT simulation.
> I mean, after simulations, we get two boxes with different compositions.
> Can we do that with gromacs? or how can we do that?
> Thanks.
> Best,
> Kai
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