[CP2K-user] Biasing volume via PLUMED

Tom Braeckevelt tom.bra... at ugent.be
Tue Nov 24 13:06:26 UTC 2020


I will kindly ask my question again. If there currently is no time to 
implement this, than that is fine, but it would be good to know.

On Thursday, October 15, 2020 at 1:34:10 PM UTC+2 Tom Braeckevelt wrote:

> Hello everyone
>
> Recently I asked a question on the plumed google group, because I saw that 
> biasing the volume or the cell vectors did not change my trajectory 
> compared to unbiased simulations (
> https://groups.google.com/g/plumed-users/c/GUTB3Iom838).
>
> Apparently this is because the viral passed from Plumed is not used in 
> CP2K, is it possible for this to get fixed or are there other solutions?
>
> Kind regards
>
> Tom
>
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