[CP2K-user] [CP2K:17650] Regarding learning QM/MM

[Md Amiruddin Hashmi]

Dear Thomas,
Thank you for your email.
I have gone through this tutorial.
Can you help me how to install gromacs-cp2k integrated setup?

Thank you.

On Mon, Sep 12, 2022, 1:13 AM Thomas Kühne <tkuehne at gmail.com> wrote:

> 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
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> Germany
> thomas.kuehne at upb.de
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