# Error in minimization step

**URL:** <https://gromacs.bioexcel.eu/t/error-in-minimization-step/4927>\
**Category:** User discussions\
**Tags:** mdp-parameters\
**Created:** [September 30, 2022, 9:19am UTC](https://gromacs.bioexcel.eu/t/error-in-minimization-step/4927 "2022-09-30T09:19:51Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![Maria2196](https://avatars.discourse-cdn.com/v4/letter/m/91b2a8/32.png) [@Maria2196](https://gromacs.bioexcel.eu/u/Maria2196)\
**Post date:** [September 30, 2022, 9:19am UTC](https://gromacs.bioexcel.eu/t/error-in-minimization-step/4927/1 "2022-09-30T09:19:51Z")

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GROMACS version:gmx\_mpi 2022

Hello everyone!  
How can I solve this error?  
ERROR 1 [file min.mdp]:  
The largest distance between excluded atoms is 2.556 nm, which is larger  
than the cut-off distance. This will lead to missing long-range  
corrections in the forces and energies.

This is my mdp file:  
; minim.mdp - used as input into grompp to generate em.tpr  
; Parameters describing what to do, when to stop and what to save  
integrator = steep ; Algorithm (steep = steepest descent minimization)  
emtol = 1000.0 ; Stop minimization when the maximum force \< 1000.0 kJ/mol/nm  
emstep = 0.01 ; Minimization step size  
nsteps = 50000 ;

nstlist = 1 ;  
cutoff-scheme = Verlet ;  
ns\_type = grid ;  
coulombtype = PME ;  
rlist = 1.2  
rcoulomb = 1.2 ;  
rvdw = 1.2 ;  
pbc = xyz ;

Thank you!

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<div class="post-metadata">

**Author:** ![al42and](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/al42and/32/1393_2.png) [@al42and](https://gromacs.bioexcel.eu/u/al42and)\
**Post date:** [September 30, 2022, 3:38pm UTC](https://gromacs.bioexcel.eu/t/error-in-minimization-step/4927/2 "2022-09-30T15:38:18Z")

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Hello!

This error [was changed to a warning in GROMACS 2022.2](https://manual.gromacs.org/2022.2/release-notes/2022/2022.2.html#lower-severity-of-grompp-exclusion-distance-issues-with-energy-minimization). If you’re using 2022 or 2022.1, please upgrade your installation.

In short, this problem appears because you have an unnaturally long bond in your system, and it will cause a minor error when calculating non-bonded energy. That is, in most cases, perfectly fine for minimization. However, if you get this error **after** minimizing the system, then something is definitely wrong.