Life Sciences Molecular Dynamics Applications on the IBM System Blue Gene Solution: Performance Overview
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چکیده
This IBM® System Blue Gene® Solution Applications Guide provides a brief overview of the performance characteristics of a selected set of computational chemistry applications. Classical Molecular Mechanics/Molecular Dynamics (MM/MD) are commonly used to simulate large biomolecules that cannot be treated with more accurate methods. This guide is intended to help applications users in computational chemistry area evaluate(?) applications that are running on Blue
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