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Simulations of Large Membrane Regions using GPU-enabled Computations – Preliminary Results

Narayan Ganesan, Michela Taufer, Sandeep Patel
Dept. of Computer & Inf. Sciences, University of Delaware
Symposium on Application Accelerators in High Performance Computing, 2010

@article{ganesan2010simulations,

   title={Simulations of Large Membrane Regions using GPU-enabled Computations-Preliminary Results},

   author={Ganesan, N. and Taufer, M. and Patel, S.},

   booktitle={Application Accelerators in High Performance Computing, 2010 Symposium, Papers},

   year={2010}

}

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In this short paper we present a GPU code for MD simulations of large membrane regions in the NVT and NVE ensembles with explicit solvent. We give an overview of the code and present preliminary performance results.
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