# Regarding nvt file of protein-complex

**URL:** <https://gromacs.bioexcel.eu/t/regarding-nvt-file-of-protein-complex/6238>\
**Category:** User discussions\
**Created:** [April 19, 2023, 3:13pm UTC](https://gromacs.bioexcel.eu/t/regarding-nvt-file-of-protein-complex/6238 "2023-04-19T15:13:49Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![animesh24oct](https://avatars.discourse-cdn.com/v4/letter/a/a6a055/32.png) [@animesh24oct](https://gromacs.bioexcel.eu/u/animesh24oct)\
**Post date:** [April 19, 2023, 3:13pm UTC](https://gromacs.bioexcel.eu/t/regarding-nvt-file-of-protein-complex/6238/1 "2023-04-19T15:13:49Z")

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GROMACS version:  
GROMACS modification: Yes/No  
Here post your question ERROR 1 [file topol\_1.top, line 121]:  
Atoms in the .top are not numbered consecutively from 1 (rather, atomnr =  
77, while at-\>nr = 77)

* * *

Program: gmx grompp, version 2019.4  
Source file: src/gromacs/gmxpreprocess/toppush.cpp (line 1244)

Fatal error:  
There was 1 error in input file(s)

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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:** [April 20, 2023, 5:14pm UTC](https://gromacs.bioexcel.eu/t/regarding-nvt-file-of-protein-complex/6238/2 "2023-04-20T17:14:46Z")

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As mentioned in the error, the atoms in .top need to be listed consecutively starting from 1. If you are putting together the protein-complex by combining different files, it’s possible the numbering might not be properly corrected at some step. If you open the .top file with a text editor, you should be able to find where the numbering went wrong (this should be under [atoms], the very first column (nr) should be a consecutive list of numbers from 1)

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**Author:** ![animesh24oct](https://avatars.discourse-cdn.com/v4/letter/a/a6a055/32.png) [@animesh24oct](https://gromacs.bioexcel.eu/u/animesh24oct)\
**Post date:** [April 20, 2023, 6:33pm UTC](https://gromacs.bioexcel.eu/t/regarding-nvt-file-of-protein-complex/6238/3 "2023-04-20T18:33:39Z")

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Thanka Karis i resolved the eroor
