Ergodicity in MD Sample Clauses

Ergodicity in MD. ‌ Ergodicity is a key issue in MD simulations and fundamentally determines if the correct ensemble averages can be obtained [35]. The ergodic hypothesis states that ensemble av- erage < A > over the phase space is equivalent to the time integral along MD trajectory, as in Eq.2.32. < A >= lim t+∆t ∫ 1 A(τ )dτ (2.32) ∆t→∞ ∆t
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