AMBER stands for Assisted Model Building for Molecular Dynamics with Energy Refinement (AMBER) and refers to two things. It refers a molecular mechanical force field for the simulation of biomolecules and a package of molecular simulation programs. The AMBER molecular dynamics (Amber MD) package can be used for computer simulations of the interaction of atoms and molecules after known natural laws in a system over a period of time.

The UNICORE Rich Client is based on Eclipse and its plug-in architecture. The AMBER GridBean plug-in for the UNICORE Rich Client is using the Eclipse plug-in technology in conjunction with UNICORE functionalities to enable scientists to seamlessly use AMBER on Grid resources (i.e. clusters, supercomputers, etc.). The plug-in supports various AMBER programs and a mechanism to create a sequence of programs. This sequence of programs can be submitted as one job to one Grid resource, which avoids unnecessary transfers of large data sets between different, geographically distributed Grid resources. The following snapshot provides an overview of the AMBER plug-in:
(high-resolution image)

Developer contacts:

Sonja Holl
Morris Riedel

Status:

The AMBER GridBean is in development (November 2008).

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