Inquiry about how to set constant in CP2K

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HugoWan

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Nov 3, 2025, 3:18:08 AMNov 3
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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


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