Error generating psf during local version

HADDOCK
1

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

2

Running on the server or a local installation?

3

Local installation

4

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