Ox-Ow1 approach Clause Samples

Ox-Ow1 approach. The starting geometry for these metadynamics simulations is the same as used in the previous case (Figure 4.2), but here the CV is the distance between the oxyl radical and the oxygen of water w1 (Ox- Ow1) with an initial value of 3.5 Å and a maximum allowed value of
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