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Gramm-software package for molecular dynamics on graphical processing units
Authors
Akberova N.
Alisheva D.
Izotova E.
Tarasov D.
Publication date
1 January 2010
Publisher
Abstract
© 2010, Pleiades Publishing, Ltd. This work describes the software package and algorithms for molecular dynamics using NVIDEA GPU G80, G84, and G92. All potentials needed for MM2 and AMBER force fields are implemented and the combination of different potentials is allowed. The performance comparison of different MD algorithms on GPU and CPU is presented. All software is available from www.gpamm.mntech.ru
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Last time updated on 07/05/2019