Need input example for metadynamics using QM/MM

Muhammad Radifar m.rad... at gmail.com
Thu Dec 2 11:02:43 CET 2010


Dear everyone,
I would like to study the metal binding in Metallothionein using CP2K,
I already know how to do QM/MM, but using metadynamics is really a
different matter. I've seen several test file from CP2K source file
that include metadynamics, but I feel like they're not enough.

Is there anyone who have an input example for metadynamics study using
QM/MM?


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