[CP2K-user] [CP2K:18767] Re: GROMACS-CP2K Error

Brandon Meza brand.meza at gmail.com
Thu May 4 17:25:20 UTC 2023

Dear Gayatri Panda

I was facing the same problem, but creating a folder called CBD_PHY worked 
for me. 


On Wednesday, March 29, 2023 at 10:39:06 AM UTC+2 Gayatri Panda wrote:

> I have a query in the Gromacs-CP2K tutorial. 
> https://docs.bioexcel.eu/2021-04-22-qmmm-gromacs-cp2k/05-gmx+cp2k/index.html 
> 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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