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Title: Sources Of Uncertainty In Molecular Dynamics Simulations
Author: Raymond D. Mountain
Source: 2004 Measurement Science Conference
Year Published: 2004
Abstract: In addition to the ubiquitous concern about the adequacy of the force field used in molecular dynamics simulations of liquids, there are two interrelated sampling issues that must be addressed. Both issues involve the generation of adequate samples of properties of interest. These issues are illustrated using a simulation of the pressure of water at ambient conditions.

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