Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations

Figure 4

Dependence of mean RMSD on 𝑡_offset for trajectory1 (10 ns). (a): 𝑡_offset=0 ps, (b): 𝑡_offset=200 ps. Vertical lines indicate the time lag 𝜏, for which half-saturation is achieved; see also (2). The horizontal line indicates the estimated plateau of the mean RMSD, corresponding to the parameter a in (2).

(a)

(b)