# Warning in NVT equilibration

**URL:** <https://gromacs.bioexcel.eu/t/warning-in-nvt-equilibration/5716>\
**Category:** User discussions\
**Tags:** mdp-parameters, mdrun, simulation-setup\
**Created:** [February 3, 2023, 9:13am UTC](https://gromacs.bioexcel.eu/t/warning-in-nvt-equilibration/5716 "2023-02-03T09:13:56Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![SerenaGiberti](https://avatars.discourse-cdn.com/v4/letter/s/f05b48/32.png) [@SerenaGiberti](https://gromacs.bioexcel.eu/u/SerenaGiberti)\
**Post date:** [February 3, 2023, 9:13am UTC](https://gromacs.bioexcel.eu/t/warning-in-nvt-equilibration/5716/1 "2023-02-03T09:13:56Z")

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Hi! I’m trying to run a NVT equilibration on my system made up by a gold surface with ligands. At the end of the process, a warning message appears:  
WARNING 1 [file nvt2.mdp]:  
The switching range should be 5% or less (currently 20.83% using a  
switching range of 0.950000-1.200000) for accurate electrostatic  
energies, energy conservation will be good regardless, since ewald\_rtol =  
1e-05.

I use these parameters in mdp file

rlist = 1.20  
cutoff-scheme = verlet

;Electrostatics  
coulombtype = PME\_switch ; Treatment of long range electrostatic interactions  
rcoulomb\_switch = 0.95 ;  
rcoulomb = 1.20 ; Short-range electrostatic cut-off

My supervisor told me that it could be a problem related to the buffer between the cut-off and the rlist value and she told me to change the rlist parameter but at the end of the simulation the result is the same. What should i do?  
Thanks!  
Serena

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<div class="post-metadata">

**Author:** ![SerenaGiberti](https://avatars.discourse-cdn.com/v4/letter/s/f05b48/32.png) [@SerenaGiberti](https://gromacs.bioexcel.eu/u/SerenaGiberti)\
**Post date:** [February 6, 2023, 1:11pm UTC](https://gromacs.bioexcel.eu/t/warning-in-nvt-equilibration/5716/2 "2023-02-06T13:11:03Z")

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Update: Pheraps Do I have to change the parameter verlet-buffer-tolerance?