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. 2021 Sep 23;94(9):189. doi: 10.1140/epjb/s10051-021-00193-w

Fig. 11.

Fig. 11

a Pictorial representation of the original idea of AdResS;  b Abrupt version of AdResS as in Ref. [29] i.e. in the Δ region a switching function is no more required. Atomistic molecules interact with coarse-grained molecules (and vice versa) via a coarse-grained potential acting on the center of mass of each molecule.  c The CG region becomes a TR region, that is a region of non-interacting point-particles (tracers), the thermodynamic force is calculated over the whole ΔTR region and a capping force avoids clashes of atoms upon acquisition of atomistic degrees of freedom by tracers entering in the Δ region at unphysical distances from each other. Figure reproduced from Ref. [30]