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Space evolution of one steered molecular dynamics (SMD) simulation entailing the pushing of one sodium-dodecyl-sulfate (SDS) molecule onto a bare alumina surface (α-Al2O3). The harmonic potential used to sample the adsorption is applied to the final portion of the SDS tail (SDSt) identified in the red box. ξ and λ are the reaction and the evolution coordinates, respectively. Note that the surfactant samples different orientations during the steering MD.
