[CP2K-user] [CP2K:20789] Re: start with CP2k

Shivam Gupta shivam-gupta at pharmafoods.co.jp
Mon Oct 21 00:58:48 UTC 2024


Hello everyone,

No reply in this question so far :( :(

I have experience running molecular dynamics (MD) simulations using 
GROMACS, and now I’m looking to integrate these results with CP2K for more 
advanced analyses. 
However, I’m new to CP2K and would appreciate any guidance on how to get 
started. Any tutorial/material link for beginners.

Thank you for your help!
On Monday, October 7, 2024 at 5:31:32 PM UTC+9 Shivam Gupta wrote:

> Hello everyone,
>
> I'm new to CP2K and would like to use it to study antigen-antibody 
> interactions. As I'm unsure how to begin, could anyone recommend a tutorial 
> or beginner-friendly protocol to help me get started?
>
> Thank you!
>

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