𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics for long-range interacting systems on graphic processing units

✍ Scribed by Rocha Filho, Tarcísio M.


Book ID
121656344
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
590 KB
Volume
185
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Efficient nonbonded interactions for mol
✍ Peter Eastman; Vijay S. Pande 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 216 KB

## Abstract We describe an algorithm for computing nonbonded interactions with cutoffs on a graphics processing unit. We have incorporated it into OpenMM, a library for performing molecular simulations on high‐performance computer architectures. We benchmark it on a variety of systems including box

Accelerating molecular dynamic simulatio
✍ Mark S. Friedrichs; Peter Eastman; Vishal Vaidyanathan; Mike Houston; Scott Legr 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 624 KB

## Abstract We describe a complete implementation of all‐atom 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