[gmx-users] How to fix the box size during the simulation?

Kevin Boyd kevin.boyd at uconn.edu
Thu Oct 18 13:45:18 CEST 2018


Hi

If your membrane is curved, do you mean to ask how you can enforce membrane
*shape* rather than size? If so, fixing the box dimensions may not help
maintain shape, depending on curvature morphology involved.

Kevin

On Thu, Oct 18, 2018 at 5:20 AM lorenaz <lorenaz at bii.a-star.edu.sg> wrote:

> Hi all,
>
> I am simulating a protein on a curved membrane and I want the membrane
> to remain the same size during the whole simulation. Is it possible to
> fix dimensions of the simulation box during the production run?
>
> Best,
>
> Lorena
>
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