# Ionization Issue In Metalloprotein MD Simulation

**URL:** <https://gromacs.bioexcel.eu/t/ionization-issue-in-metalloprotein-md-simulation/5218>\
**Category:** User discussions\
**Created:** [November 9, 2022, 4:22pm UTC](https://gromacs.bioexcel.eu/t/ionization-issue-in-metalloprotein-md-simulation/5218 "2022-11-09T16:22:47Z")\
**Posts on this page:** 1\
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**Author:** ![alexnas](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alexnas/32/1826_2.png) [@alexnas](https://gromacs.bioexcel.eu/u/alexnas)\
**Post date:** [November 15, 2022, 9:24am UTC](https://gromacs.bioexcel.eu/t/ionization-issue-in-metalloprotein-md-simulation/5218/2 "2022-11-15T09:24:37Z")

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This thread might be helpful:

> [@Atomtype Cu2+ not found](https://gromacs.bioexcel.eu/t/atomtype-cu2-not-found/1321):
>
> GROMACS version: 5.2 GROMACS modification: Yes/No Hi, I have a problem; I built a simulation box with a slab of graphene in the middle of the box, filled with water on one side and saline (NaCl) on other side. I have checked the executable files (.gro, .itp, topol , …) several times and they are correct , but I give this error : atomtype Cu2+ not found. Does anyone have any experience to share with me?

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