Dear Gayatri Panda<div><br /></div><div>I was facing the same problem, but creating a folder called CBD_PHY worked for me. </div><div><br /></div><div>Best<br /><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, March 29, 2023 at 10:39:06 AM UTC+2 Gayatri Panda wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div dir="ltr"><div>I have a query in the Gromacs-CP2K tutorial.
</div><div></div><div><a href="https://docs.bioexcel.eu/2021-04-22-qmmm-gromacs-cp2k/05-gmx+cp2k/index.html" rel="noopener nofollow noreferrer" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://docs.bioexcel.eu/2021-04-22-qmmm-gromacs-cp2k/05-gmx%2Bcp2k/index.html&source=gmail&ust=1683307329238000&usg=AOvVaw3_ww8oWsqTufeCHoYT34Bc">https://docs.bioexcel.eu/2021-04-22-qmmm-gromacs-cp2k/05-gmx+cp2k/index.html</a>
After running step 4, I am not getting inp and pdb files as output. </div><div>Even though I tried to follow this tutorial by defining user input, this also failed and gave this error </div><div>"System I/O error:</div>Could not open file 'CBD_PHY/_cp2k.inp'<br> Reason: No such file or directory<br> (call to fopen() returned error code 2)<br><div>". I am very new to CP2K and QM/MM simulations; your guidance will be highly appreciated. </div><div><br></div>Thanks and regards<br><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><b><i>Gayatri Panda</i></b><div><b>PhD19206 (Computational Biology)</b></div><div><br></div><div><br></div></div></div></div></div></div>
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