Simulations of Large Membrane Regions using GPU-enabled Computations - Preliminary Results
نویسندگان
چکیده
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. Keywords-Algorithms; Performance; Ewald Summation; PME; Reaction Force Field Method
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