[CP2K-user] [CP2K:17318] WALL for Metadynamics in CP2K

[Quentin Pessemesse]

Hello,
What I would do is add a z-axis CV3 with a Gaussian width equal to 0 (SIGMA 0.0) and add a wall to CV3. That way you do not deposit hills on CV3 but still have a wall on it. 
I hope that answers your question. 
Best,
Quentin

> Le 15 juil. 2022 à 05:07, Meili Liu <meililiu1024 at gmail.com> a écrit :
> 
> Dear CP2K users,
> 
> I want to check one point with you. I read section WALL in CP2K. This section is used to control the activation of walls on COLVAR during a metadynamic run. So when I used x-axis as CV1 and y-axis as CV2, could I achieve to add a WALL for z-axis (z-axis is not CV in current metadynamics run.)?
> ----------------------------------------------------------------------------------------------------------------------------------------
> Section WALL
> Controls the activation of walls on COLVAR during a metadynamic run.  [Edit on GitHub]
> ----------------------------------------------------------------------------------------------------------------------------------------
> Many thanks in advance!
> 
> Best,
> Meili
> University of Miami
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
> To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/a458d814-ad34-4202-9c36-a32283882963n%40googlegroups.com.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/AAFCC2A5-532E-4DCF-8B54-04A0A5F9B0AE%40gmail.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220715/7ea2eef0/attachment-0001.htm>