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How would you explain Umbrella sampling in Molecular Dynamics?

  • Writer: Mohd Athar
    Mohd Athar
  • Sep 15, 2018
  • 1 min read

Updated: May 8, 2021

in a very crude way, umbrella sampling is a ladder to climb on high energy barrier and robustly walk through all energy state of molecular system of interest. the analogy is not fully correct as climbing has to be replaced by flattening of fill, like in attached figure.



 
 
 

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