How can i insert molecules inside in gromacs?

More Yeongkyu Lee's questions See All

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Anastasia Lyulina

Take a look at gmx insert-molecules.

http://manual.gromacs.org/programs/gmx-insert-molecules.html

JD Tamucci

As Anastasia Lyulina said, you can used gmx insert-molecules to place ions. This is especially useful if you want to place the ions in specific positions because you can use a positions.dat file to direct their placement. I've attached an example of such a file.

If you're just trying to add ions uniformly throughout your system though, you can use gmx genion.