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Best bang for your buck: Optimizing cluster and simulation setup for GROMACS
fare trading online con deposito massimo di dieci euro Carsten Kutzner
IMax Planck Institute for Biophysical Chemistry
Theoretical and computational biophysics department
Am Fassberg 11, 37077 Göttingen, Germany
we point per opzioni binarie download Abstract: Molecular dynamics (MD) simulations typically run for weeks or months even on modern computer clusters. Choosing optimal runtime settings and cost-effective hardware for carrying out these simulations considerably increases the trajectory output. We will discuss how to optimize GROMACS performance on various hardware, and which hardware gives the “best bang for your buck”.