[CP2K-user] [CP2K:21939] Inquiry about how to set constant in CP2K

[HugoWan]

Hi,

I used CP2k and Plumed to do externed_lagrangian for free energy sampling. 
The issue is that plumed detected KbT as the constant, while CP2K doesn't 
have this variable of KbT.
The error is the following "

PLUMED: Gaussian file HILLS

PLUMED: KbT 0.592485

PLUMED: Grid min 1.9

PLUMED: Grid max 3.9

PLUMED: Grid bin 40

PLUMED: Grid uses spline interpolation

PLUMED: KbT has not been set by the MD engine

PLUMED: It should be set by hand where needed"

Is there anyway to set this variable in CP2K?


Thank you

Hugo


-- 
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 visit https://groups.google.com/d/msgid/cp2k/db63e126-1b31-4f55-ae8b-7be46bbbcbc2n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20251101/69374200/attachment.htm>