# Energy minimization protein-ligand complex

**URL:** <https://gromacs.bioexcel.eu/t/energy-minimization-protein-ligand-complex/1756>\
**Category:** User discussions\
**Created:** [March 15, 2021, 10:14pm UTC](https://gromacs.bioexcel.eu/t/energy-minimization-protein-ligand-complex/1756 "2021-03-15T22:14:24Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![Hossein](https://avatars.discourse-cdn.com/v4/letter/h/9de0a6/32.png) [@Hossein](https://gromacs.bioexcel.eu/u/Hossein)\
**Post date:** [March 15, 2021, 10:14pm UTC](https://gromacs.bioexcel.eu/t/energy-minimization-protein-ligand-complex/1756/1 "2021-03-15T22:14:24Z")

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GROMACS version:  
GROMACS modification: Yes/No  
Here post your question:  
I have a problem with the simulation protein-ligand complex. I receive this fatal error during energy minimization. how can solve it?

program: gmx mdrun, version 2020  
Source file: src/gromacs/pbcutil/mshift.cpp (line 904)  
MPI rank: 0 (out of 32)

Fatal error:  
There are inconsistent shifts over periodic boundaries in a molecule type  
consisting of 63 atoms. The longest distance involved in such interactions is  
9.690 nm which is above half the box length. Either you have excessively large  
distances between atoms in bonded interactions or your system is exploding.

thanks.