Metadynamics - Energy as a collective variable
August Melcher
august... at gmail.com
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?
Thanks,
August
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