[CP2K-user] [CP2K:16347] QM/MM RESULTS

[ışılay öztürk]

Dear all,

I want to use  graph.sopt tool ile in this exam

[image: image.png]
https://www.cp2k.org/howto:biochem_qmmm

but I took some error message
[image: image.png]

Do you have any idea about it?

How can I manage it?

Best regards

Işılay

-- 
*_______________________*

*PhD. Student Işılay Öztürk*

*EGE UNIVERSITY Graduate School of Natural and Applied ScienceDepartmant of
Chemistry / Physical Chemistry35100 Bornova / IZMIR / TURKEY*

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