# Error in h-bond file (hbond.xvg) in Gromacs 2023 version

**URL:** <https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522>\
**Category:** User discussions\
**Tags:** analysis-tools\
**Created:** [May 31, 2023, 8:25am UTC](https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522 "2023-05-31T08:25:49Z")\
**Posts on this page:** 5\
**Page:** 1

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**Author:** ![chaudhuriankur1](https://avatars.discourse-cdn.com/v4/letter/c/59ef9b/32.png) [@chaudhuriankur1](https://gromacs.bioexcel.eu/u/chaudhuriankur1)\
**Post date:** [May 31, 2023, 8:25am UTC](https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522/1 "2023-05-31T08:25:49Z")

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GROMACS version: 2023  
GROMACS modification: Yes/No  
During h-bond analysis of my protein, gmx hbond generates the respective .xvg file (hbond.xvg). But when I open in text editor it shows like this:

-1.19239e-07 -1275066288 -1275066288  
4.57314e-41 32635 32635  
-1.19239e-07 -1275066288 -1275066288  
4.57314e-41 32635 32635  
-1.20992e-07 -1274793056 -1274743888  
4.57314e-41 32635 32635  
-1.20992e-07 -1274793056 -1274743888  
4.57314e-41 32635 32635  
2.38221e-44 9470 9531  
2.8026e-45 11483 8131  
3.36312e-44 4256 9226  
0 9366 9156  
0 11639 7978  
1.4013e-45 4081 9324  
1.12104e-44 9385 8889  
3.36312e-44 11639 7794  
1.4013e-45 4081 9194  
3.36312e-44 9385 9225  
But same input file working fine in the lower version.  
I have used the following command and select Group 1 for Protein  
gmx hbond -f md\_0\_1\_noPBC.xtc -s md\_0\_1.tpr -num hbond.xvg  
Someone please help me to solve this issue.  
Processing: hbond.xvg…

Processing: hbond.xvg…

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**Author:** ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)\
**Post date:** [June 8, 2023, 6:58am UTC](https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522/2 "2023-06-08T06:58:05Z")

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Hi,  
Thank you. See this discussion:

> [@"Segmentation fault", "std::bad\_alloc" and "malloc(): invalid size" when running gmx hbond](https://gromacs.bioexcel.eu/t/segmentation-fault-std-bad-alloc-and-malloc-invalid-size-when-running-gmx-hbond/6566):
>
> GROMACS version: 2023 GROMACS modification: Yes, but hbond has not been touched Hi, I keep getting ‘low level’ errors when running gmx hbond -life with Gromacs 2023. When supplying a trajectory generated with a older version I get a note (but no warning or error) and then a segmentation fault, whereas when I supply a trajectory generated with the same version I get either: ------------------------------------------------------- Program: gmx hbond, version 2023.1 Memory allocation failed:…

Kind regards  
Alessandra

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<div class="post-metadata">

**Author:** ![chaudhuriankur1](https://avatars.discourse-cdn.com/v4/letter/c/59ef9b/32.png) [@chaudhuriankur1](https://gromacs.bioexcel.eu/u/chaudhuriankur1)\
**Post date:** [June 12, 2023, 6:16am UTC](https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522/3 "2023-06-12T06:16:29Z")

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Dear madam,  
I did not find any solved issue of my gmx hbond problem. could you please help me?  
Kind Regards,  
Ankur

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**Author:** ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)\
**Post date:** [June 12, 2023, 7:36am UTC](https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522/4 "2023-06-12T07:36:01Z")

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Hi  
There are memory issues in the 2023 and 2023.1 version of gmx hbond. This will be fixed in 2023.2.

> **[gmx hbond produces random output (#4801) · Issues · GROMACS / GROMACS · GitLab](https://gitlab.com/gromacs/gromacs/-/issues/4801)**
>
> Due to not initializing arrays, gmx hbond could produce random output. The results depend on the state of the memory and the compiler used. Often the first tens...

Alessandra

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<div class="post-metadata">

**Author:** ![chaudhuriankur1](https://avatars.discourse-cdn.com/v4/letter/c/59ef9b/32.png) [@chaudhuriankur1](https://gromacs.bioexcel.eu/u/chaudhuriankur1)\
**Post date:** [June 12, 2023, 7:40am UTC](https://gromacs.bioexcel.eu/t/error-in-h-bond-file-hbond-xvg-in-gromacs-2023-version/6522/5 "2023-06-12T07:40:12Z")

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ok. Thank you for this information.
