Metadynamics - Energy as a collective variable

August Melcher august... at
Mon Jul 14 22:38:43 UTC 2014

Hello all,

I'm interested in doing metadynamics calculations and based on previous 
studies on a system similar to mine, energy seems to be a relevant 
collective variable. I'm confused about how energy can be constrained in 
the sense that geometric collective variables are and how it could be 
constrained independently from geometric variables. Could anyone offer some 
insight as to how metadynamics with energy as a collective variable works?

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