[CP2K-user] How to set the width of Gaussian hill in METADYN section

Marcella Iannuzzi marci... at gmail.com
Fri May 10 12:42:31 UTC 2019

Dear Justin,

In every subsection METAVAR the SCALE keyword assigns the width of the 
Gausssian in the corresponding dimension. 
The units depend on the COLVAR associated with the given METAVAR.
For each active COLVAR, a METAVAR needs to be specified. 

On Friday, May 10, 2019 at 11:32:41 AM UTC+2, Ke Zhou wrote:
> Dear all,
> I am using metadynamics to calculate PMF now. 
> In PLUMED, we can set the width of Gaussian hill by "SIGMA". 
> But in METADYN section in CP2K, only the high of Gaussian hill, that is 
> "WW", can be found.
> So, how to set the width of Gaussian hill?
> Can you help me?
> Best,
> Justin
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