[CP2K-user] [CP2K:17647] Regarding learning QM/MM

[Thomas Kühne]

A good starting point is: https://www.cp2k.org/howto:biochem_qmmm

Best, 
Thomas Kühne

> Am 11.09.2022 um 21:34 schrieb Md Amiruddin Hashmi <hashmiempires at gmail.com>:
> 
> Dear all,
> 
> Can anyone help with learning QM/MM?
> I am well versed in running all atom MD simulations and now want to learn how to get started with QM/MM simulations for protein-ligand complexes.
> 
> Thank you!
> 
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==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
thomas.kuehne at upb.de
+49/(0)5251/60-5726

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