# Gromacs mismatch

**URL:** <https://gromacs.bioexcel.eu/t/gromacs-mismatch/4440>\
**Category:** User discussions\
**Created:** [July 8, 2022, 8:37pm UTC](https://gromacs.bioexcel.eu/t/gromacs-mismatch/4440 "2022-07-08T20:37:40Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![bkw](https://avatars.discourse-cdn.com/v4/letter/b/e495f1/32.png) [@bkw](https://gromacs.bioexcel.eu/u/bkw)\
**Post date:** [July 8, 2022, 8:37pm UTC](https://gromacs.bioexcel.eu/t/gromacs-mismatch/4440/1 "2022-07-08T20:37:41Z")

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GROMACS version:2018  
GROMACS modification: Yes/No  
Here post your question  
Kindly help me deal with the mismatch below. Am using Gromacs 2018 running a gromacs tutorial 5. The chloride ions in the topol.top file are written as CLA. when doing the energy minimization while maintaining the ion as CL. am told no such moleculetype exists and when i change it to CLA i get a mismatch:  
Warning: atom name 33501 in topol.top and solv\_ions.gro does not match (CLA - CL)  
Warning: atom name 33502 in topol.top and solv\_ions.gro does not match (CLA - CL)  
Warning: atom name 33503 in topol.top and solv\_ions.gro does not match (CLA - CL)  
Warning: atom name 33504 in topol.top and solv\_ions.gro does not match (CLA - CL)  
Warning: atom name 33505 in topol.top and solv\_ions.gro does not match (CLA - CL)  
Warning: atom name 33506 in topol.top and solv\_ions.gro does not match (CLA - CL)

WARNING 1 [file topol.top, line 24633]:  
6 non-matching atom names  
atom names from topol.top will be used  
atom names from solv\_ions.gro will be ignored

Removing all charge groups because cutoff-scheme=Verlet  
Analysing residue names:  
There are: 163 Protein residues  
There are: 7 Other residues  
There are: 10288 Water residues  
Analysing Protein…  
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups…  
Number of degrees of freedom in T-Coupling group rest is 69651.00  
Calculating fourier grid dimensions for X Y Z  
Using a fourier grid of 72x72x72, spacing 0.109 0.109 0.109  
Estimate for the relative computational load of the PME mesh part: 0.07  
This run will generate roughly 3 Mb of data

There was 1 note

There was 1 warning

* * *

Program: gmx grompp, version 2018.6  
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 2406)

Fatal error:  
Too many warnings (1).  
If you are sure all warnings are harmless, use the -maxwarn option.

For more information and tips for troubleshooting, please check the GROMACS  
website at [Common Errors — GROMACS webpage https://www.gromacs.org documentation](http://www.gromacs.org/Documentation/Errors)
