Docking with Autodock and Molecular Dynamic analysis with Gromacs: Part of Indonesian Herbal Farmacological activities screening in Silico On a Cluster computing environment. Screening aktifitas farmakologis beberapa bahan aktif tumbuhan obat Indonesia secara in silico menggunakan High Performance Computing berbasis Cluster system Joint research : Arry Yanuar, Dept of Pharmacy, and Heru Suhartanto, Faculty of Computer Science, Universitas Indonesia Supported by The Indonesian Ministry of Research and Technology Office, 2009-
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Docking with Autodock and Molecular Dynamic analysis with Gromacs: Part of Indonesian Herbal Farmacological activities screening in Silico On a Cluster.
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Docking with Autodock and Molecular Dynamic analysis with Gromacs: Part of Indonesian Herbal Farmacological
activities screening in Silico
On a Cluster computing environment.
Screening aktifitas farmakologis beberapa bahan aktif tumbuhan obat Indonesia secara in silico menggunakan High Performance Computing berbasis Cluster system
Joint research : Arry Yanuar, Dept of Pharmacy, and Heru Suhartanto, Faculty of Computer Science,
Universitas Indonesia
Supported by The Indonesian Ministry of Research and Technology Office, 2009-2010,research grant
Gromacs
GROMACS is a versatile package program to perform molecular dynamics.
GROMACS can be run with single processor or using multiple processor (parallel using standard MPI communication)
Our Research is study the performance (time) between, on the Cluster computing resources and on the GPU (Graphic Processor Unit)
Hastinapura
Hastinapura.grid.ui.ac.id is the first Cluster computing resources, the Faculty of Computer Science Universitas Indonesia.
This cluster can be used to run parallel and serial applications (gromacs).
It consists of 16 dual-core machines that act as worker nodes.
Hardware Specification Head node
Sun Fire X2100 AMD Opteron 2.2GHz (Dual Core) 2 GB RAM Debian GNU/Linux 3.1 “Sarge”
Worker nodes (16) Sun Fire X2100 AMD Opteron 2.2GHz (Dual Core) 1 GB RAM Debian GNU/Linux 3.1 “Sarge”