PIMD and metadynamics

Florian Gisdon florian... at googlemail.com
Fri Jan 20 11:16:57 CET 2017


Hi ,

I was running into the same problem as Chaim. I was performing a 
metadynamics run with normal MD, which works well.
For investigating additional effects I want to run PIMD instead now. So I 
just replaced the MD part by some PIMD setup.
As a result, PIMD was running, but no metadynamics was performed. 
I hope someone can tell if it is possible to combine PIMD and metadynamics.

Thanks
Florian


Am Montag, 27. Januar 2014 13:36:18 UTC+1 schrieb Chaim Dryzun:
>
> Hello all,
>  
> Can I combine PIMD and Metadynamics in CP2K?
>  
> Thanks,
> Chaim Dryzun
>  
>
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