Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations
Figure 3
Dependence of mean RMSD on the time lag for . (a) 10ns trajectory1, (b) 50 ns trajectory2, (c) 200 ns trajectory3; see Table 1. Note that due to the different total durations of the simulations, the maximum time lag considered (equal to half the simulation length) varies. Vertical lines indicate the time interval , for which half-saturation is achieved; see also (2). The horizontal line indicates the estimated plateau of the mean RMSD, corresponding to the parameter in (2).
