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dc.contributor.authorFlemming, Creston
dc.descriptionAdvisor: Maria Bohorquez ; Timothy Urnessen_US
dc.description.abstractThe process of using recycled computers to construct a Beowulf cluster in order to simulate the molecular dynamics of a chemical system is explored. The cluster was assembled using used computers taken out of service due to upgrades, and would otherwise be discarded. When assembled in a cluster, the computer performed the numerically-intensive process of molecular modeling roughly four times faster than a current machine using synthetic benchmarks. The cluster was used to run a molecular modeling program NAMD. We used the cluster and NAMD to analyze an experiment to study a biologically active lipid called DOPC in the form of a monolayer. The monolayer was constructed using VMD (Visual Molecular Dynamics). It consists of DOPC molecules on the air/water interface. An energy minimization process is carried out before molecular dynamics can be calculated in order to render the system in its most probable physical state.en_US
dc.description.sponsorshipDrake University, College of Arts and Sciences, Department of Mathematics and Computer Science, Department of Chemistryen_US
dc.relation.ispartofseriesDUCURS 2009;21
dc.subjectUsed computersen_US
dc.subjectMolecular dynamicsen_US
dc.subjectCluster analysis--Computer programsen_US
dc.titleUsing Reycled Computers to Construct a Beowulf Cluster for Molecular Modelingen_US

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  • DUCURS [196]
    Poster sessions and presentation from the Drake University Conference on Undergraduate Research in the Sciences held each April at Olmsted Center on the Drake campus.

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