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

Ke Zhou zhouk... at gmail.com
Fri May 10 09:32:41 UTC 2019


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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