[CP2K-user] [CP2K:18583] GROMACS-CP2K Error

Gayatri Panda gayatrip at iiitd.ac.in
Wed Mar 29 08:38:50 UTC 2023

I have a query in the Gromacs-CP2K tutorial.
After running step 4, I am not getting inp and pdb files as output.
Even though I tried to follow this tutorial by defining user input, this
also failed and gave this error
"System I/O error:
Could not open file 'CBD_PHY/_cp2k.inp'
  Reason: No such file or directory
  (call to fopen() returned error code 2)
". I am very new to CP2K and QM/MM simulations; your guidance will be
highly appreciated.

Thanks and regards
*Gayatri Panda*
*PhD19206 (Computational Biology)*

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