# CP2K command to start simulation

**URL:** https://ask.bioexcel.eu/t/cp2k-command-to-start-simulation/2438
**Category:** BioBB
**Created:** [September 7, 2020, 6:13pm UTC](https://ask.bioexcel.eu/t/cp2k-command-to-start-simulation/2438 "2020-09-07T18:13:48Z")
**Posts on this page:** 3
**Page:** 1

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### Author: ![dburns](https://avatars.discourse-cdn.com/v4/letter/d/a88e57/32.png) [@dburns](https://ask.bioexcel.eu/u/dburns)
#### Post date: [September 7, 2020, 6:13pm UTC](https://ask.bioexcel.eu/t/cp2k-command-to-start-simulation/2438/1 "2020-09-07T18:13:48Z")

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I’m just getting started on setting up a QMMM run. I’ve watched Salome Llabres’ tutorial. I see there are a lot of exercises available too that I’m going to look into.

What is the actual command line command and options to run a CP2K simulation?

Thank you,

Dan

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### Author: ![adam.hospital](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/adam.hospital/32/151_2.png) [@adam.hospital](https://ask.bioexcel.eu/u/adam.hospital)
#### Post date: [September 7, 2020, 7:40pm UTC](https://ask.bioexcel.eu/t/cp2k-command-to-start-simulation/2438/2 "2020-09-07T19:40:20Z")

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Hi Dan,

if you are referring to CP2K executions using the BioBB library, I’m afraid it is still not integrated. One more for your [BioBB Functions Wishlist](https://ask.bioexcel.eu/t/biobb-functions-wishlist/2242)! 😋

CP2K integration is definitely in our roadmap, being one of the BioExcel key applications. Stay tuned!

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### Author: ![dburns](https://avatars.discourse-cdn.com/v4/letter/d/a88e57/32.png) [@dburns](https://ask.bioexcel.eu/u/dburns)
#### Post date: [September 7, 2020, 7:56pm UTC](https://ask.bioexcel.eu/t/cp2k-command-to-start-simulation/2438/3 "2020-09-07T19:56:24Z")

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Oops - didn’t mean to post this under BioBB. I am using BioBB to set up my system though!

Thanks Adam!

Dan
