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

[Brandon Meza]

Dear Gayatri Panda

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

Best

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)*
>
>
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/81a9e543-3e68-460f-9e35-fe454e5700bbn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230504/9a965226/attachment.htm>