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

Justin Lemkul jalemkul at vt.edu
Tue Jun 4 17:17:16 CEST 2013

On 6/4/13 8:46 AM, Bao Kai 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?

One possible approach:




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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