Well-Tempered Metadynamics Using Gyration Radius

Well-Tempered Metadynamics Using Gyration Radius 

We turn here to describe the case of WTMetaD because recently it is becoming widely applied and its error control and associated diagnostics differ slightly from the case of the normal MetaD. In WTMetaD there is an additional parameter to be set, namely, AT, which technically regulates the decay factor of the 

Once again, a bad choice of CVs makes the transition from Cy to Cyeq rather fortuitous. This indicates that the selected CV is not a good variable for biasing, with either WTMetaD or MetaD. 

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Well-Tempered Metadynamics Using Gyration Radius... 

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