Table 1 Metrics used to study equilibrium.
From: Convergence and equilibrium in molecular dynamics simulations
GLOBAL DYNAMICAL CONVERGENCE | Partial components (PCs) PCs cumulative overlap (CO) |
LOCAL DYNAMICAL CONVERGENCE | Atomic fluctuations (RMSF) |
STRUCTURAL CONVERGENCE | Cluster analysis |
CUMULATIVE CONVERGENCE | Autocorrelation functions (ACF) |
