Hello all,I am trying to apply QM/MM with Gromacs+CP2K interface but I have an error… I have Gallium and basic, N,O,H,C atoms. CP2K part is giving error. during energy minimization part. Probably gromacs part has a problem as well… I am sharing with you my input and outputs. I didn’t understand anything from error… Thank u in advance… (P.S. First I used to amber22 for creating forcefield parameters for the gallium with metal center parameter builder (MCPB.py). I converted amber parameters with acpype.py for Gromacs))Please someone make my day… ıf I can understand it error, I can continue…I uploaded my files to google driver ıf you give some feedback. I will be so glad. <a href="https://drive.google.com/drive/folders/1hVCWpUa0Cy8aJDCPhFj3tknh7TuzzG16?usp=drive_link" target="_blank" rel="noopener nofollow ugc" style="cursor: pointer; overflow-wrap: break-word;">https://drive.google.com/drive/folders/1hVCWpUa0Cy8aJDCPhFj3tknh7TuzzG16?usp=drive_link</a> Sincerly Işılay ÖZTÜRK -- 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 <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/79c3b84a-fa87-4bd5-82c0-e31bf22f6168n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/79c3b84a-fa87-4bd5-82c0-e31bf22f6168n%40googlegroups.com</a>.