How to choose "MIN_DISP" value for metadynamics simulation

Abhi abhi.... at gmail.com
Thu Nov 13 19:21:10 UTC 2014


 Dear all,
     I want to perform a metadynamics simulation with cp2k. As the value
of  "MIN_DISP" depends on the width of Gaussian functions used to build the 
bias potential,  
how to select this value ("MIN_DISP") for the case where the width of the 
depositing Gaussians are different for each CV. 

Thanks in advance,

Abhi
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