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. 2015 Nov 3;11(12):5638–5650. doi: 10.1021/acs.jctc.5b00907

Figure 6.

Figure 6

Representative sampling from unrestricted WTMetaD (top row) and well tempered MBMetaD (lower two rows) with the same initial conditions (columns) as a function of cleft width (w) and twist angle (θ). In the unrestricted case only bias PMF estimates are shown because sampling and bias are directly related; for MBMetaD both bias PMF estimates (middle row) and sampling histograms (bottom row) are shown.