## Abstract We describe a complete implementation of allβatom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimization
β¦ LIBER β¦
Gramm-software package for molecular dynamics on graphical processing units
β Scribed by D. S. Tarasov; E. D. Izotova; D. A. Alisheva; N. I. Akberova
- Book ID
- 111474534
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2010
- Tongue
- English
- Weight
- 213 KB
- Volume
- 2
- Category
- Article
- ISSN
- 2070-0482
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