# Error generating psf during local version

**URL:** <https://ask.bioexcel.eu/t/error-generating-psf-during-local-version/4453>\
**Category:** HADDOCK\
**Created:** [August 17, 2023, 6:58pm UTC](https://ask.bioexcel.eu/t/error-generating-psf-during-local-version/4453 "2023-08-17T18:58:42Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![michael](https://avatars.discourse-cdn.com/v4/letter/m/4bbf92/32.png) [@michael](https://ask.bioexcel.eu/u/michael)\
**Post date:** [August 17, 2023, 6:58pm UTC](https://ask.bioexcel.eu/t/error-generating-psf-during-local-version/4453/1 "2023-08-17T18:58:42Z")

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Hi  
I am trying to dock a protein with an ensemble of peptides. For some reason, when I change the setting so the hydrogens are not deleted (I have NOE restraints) this error comes up, otherwise the docking works fine. Also, when I run each peptide on its own it also works (even when hydrogens are kept).  
How can I fix this?  
Thank you very much!

waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
waiting for the psf files…  
waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
waiting for the psf files…  
waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
waiting for the psf files…  
waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
waiting for the psf files…  
waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
waiting for the psf files…  
waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
waiting for the psf files…  
waiting for /home/qnt/drorimi2/gromacs/retry/run5/begin/frame\_51.psf…  
Error in the topology generation: prot\_psf\_mol2 could not be created  
=\> HADDOCK stopped

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<div class="post-metadata">

**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [August 17, 2023, 9:18pm UTC](https://ask.bioexcel.eu/t/error-generating-psf-during-local-version/4453/2 "2023-08-17T21:18:30Z")

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Running on the server or a local installation?

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<div class="post-metadata">

**Author:** ![michael](https://avatars.discourse-cdn.com/v4/letter/m/4bbf92/32.png) [@michael](https://ask.bioexcel.eu/u/michael)\
**Post date:** [August 17, 2023, 9:36pm UTC](https://ask.bioexcel.eu/t/error-generating-psf-during-local-version/4453/3 "2023-08-17T21:36:31Z")

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Local installation

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<div class="post-metadata">

**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [August 18, 2023, 7:13am UTC](https://ask.bioexcel.eu/t/error-generating-psf-during-local-version/4453/4 "2023-08-18T07:13:59Z")

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I would try the server as a check and see if you have similar issues
