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

[Justin Lemkul]

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:

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/biphasic/index.html

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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