# Segmentation fault during gmx lie

**URL:** <https://gromacs.bioexcel.eu/t/segmentation-fault-during-gmx-lie/246>\
**Category:** User discussions\
**Created:** [June 5, 2020, 6:17am UTC](https://gromacs.bioexcel.eu/t/segmentation-fault-during-gmx-lie/246 "2020-06-05T06:17:56Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![kyoungjun-lee](https://avatars.discourse-cdn.com/v4/letter/k/b3f665/32.png) [@kyoungjun-lee](https://gromacs.bioexcel.eu/u/kyoungjun-lee)\
**Post date:** [June 5, 2020, 6:17am UTC](https://gromacs.bioexcel.eu/t/segmentation-fault-during-gmx-lie/246/1 "2020-06-05T06:17:56Z")

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GROMACS version: 2020  
GROMACS modification: No  
Here post your question :

Hello.

When I try the gmx lie, I’m always facing with this error.  
'Command line:  
gmx lie -f ie.edr -Elj -5.88157 -Eqq 48.1747 -ligand chain\_b

Opened ie.edr as single precision energy file  
Segmentation fault’

I cannot find what is matter.  
Can you tell me how i can figure it out?

Thank you.

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**Author:** ![pbauer](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pbauer/32/13_2.png) [@pbauer](https://gromacs.bioexcel.eu/u/pbauer)\
**Post date:** [June 5, 2020, 6:53am UTC](https://gromacs.bioexcel.eu/t/segmentation-fault-during-gmx-lie/246/2 "2020-06-05T06:53:56Z")

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Hello,

this sounds like a bug, the program shouldn’t segfault on user input.

Can you please open an issue here  
([https://gitlab.com/gromacs/gromacs/-/issues](https://gitlab.com/gromacs/gromacs/-/issues)) and upload your input  
files so we can try to reproduce and fix this?

Thanks!

Paul

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**Author:** ![kyoungjun-lee](https://avatars.discourse-cdn.com/v4/letter/k/b3f665/32.png) [@kyoungjun-lee](https://gromacs.bioexcel.eu/u/kyoungjun-lee)\
**Post date:** [June 5, 2020, 7:07am UTC](https://gromacs.bioexcel.eu/t/segmentation-fault-during-gmx-lie/246/3 "2020-06-05T07:07:14Z")

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Thank you for your attention paul.

I just opened an issue and uploaded my input file.  
([https://gitlab.com/gromacs/gromacs/-/issues/3547](https://gitlab.com/gromacs/gromacs/-/issues/3547))  
Is it sufficient to upload only the ‘ie.edr’ file?  
If it is better to upload any files for generating ‘ie.edr’, I’m willing to upload them too.

Thank you.

Lee