Bias Exchange Metadynamics in CP2K with PLUMED

Ivan Gladich igla... at
Thu Jul 28 11:31:11 UTC 2016

Dear all,

I would like to ask you if someone has experience in doing Bias Exchange 
Metadynamics (BE-MTD) with CP2K. 
BE-MTD allows to swap the bias potential among different replicas, where 
each replica acts biasing different CVs

I know that PLUMED, which is included in CP2K without patching the code, 
should do that but looking at PLUMED web page (and the tutorials there) 
it seems that works only with GROMACS.

Anyone has some experience on that?
I am quite a newbie in this type of calculations...thus, thank you very 
much for any possible help

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