# Atom O1 in residue HIS 180 was not found in rtp entry HISE with 17 atoms while sorting atoms

**URL:** https://gromacs.bioexcel.eu/t/atom-o1-in-residue-his-180-was-not-found-in-rtp-entry-hise-with-17-atoms-while-sorting-atoms/8569
**Category:** User discussions
**Created:** [March 11, 2024, 9:39am UTC](https://gromacs.bioexcel.eu/t/atom-o1-in-residue-his-180-was-not-found-in-rtp-entry-hise-with-17-atoms-while-sorting-atoms/8569 "2024-03-11T09:39:34Z")
**Posts on this page:** 2
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### Author: ![Allan\_Zhang\_Lin\_ssss](https://avatars.discourse-cdn.com/v4/letter/a/edb3f5/32.png) [@Allan\_Zhang\_Lin\_ssss](https://gromacs.bioexcel.eu/u/Allan_Zhang_Lin_ssss)
#### Post date: [March 11, 2024, 9:39am UTC](https://gromacs.bioexcel.eu/t/atom-o1-in-residue-his-180-was-not-found-in-rtp-entry-hise-with-17-atoms-while-sorting-atoms/8569/1 "2024-03-11T09:39:34Z")

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GROMACS version: 2023.4  
GROMACS modification: Yes/No  
Here post your question  
When i run ’gmx pdb2gmx -f … -p … -water spce -ignh‘ , error occurs,“Fatal error: Atom O1 in residue HIS 180 was not found in rtp entry HISE with 17 atoms while sorting atoms.”

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### Author: ![Karis](https://avatars.discourse-cdn.com/v4/letter/k/ed8c4c/32.png) [@Karis](https://gromacs.bioexcel.eu/u/Karis)
#### Post date: [March 12, 2024, 7:00am UTC](https://gromacs.bioexcel.eu/t/atom-o1-in-residue-his-180-was-not-found-in-rtp-entry-hise-with-17-atoms-while-sorting-atoms/8569/2 "2024-03-12T07:00:04Z")

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The program found an extra atom in HIS 180 that it wasn’t expecting to find in a HISE residue. This suggests something is wrong with the structure the residue HIS 180 in your pdb file