Bias Exchange Metadynamics in CP2K with PLUMED
Ivan Gladich
igla... at gmail.com
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
Ivan
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