a The 10-ps configuration of each trajectory was used as the initial configuration. The system was simulated for 5 ps using a ( ) microcanonical ensemble with various time steps. Then, the RMSF E and the computation time was examined. r tot b ( ) Hard forces H : bond, angle, and torsion. c ( ) Mediu
Application of a high-performance, special-purpose computer, GRAPE-2A, to molecular dynamics
β Scribed by Junichi Higo; Shigeru Endo; Kuniaki Nagayama; Tomoyoshi Ito; Toshiyuki Fukushige; Toshikazu Ebisuzaki; Daiichiro Sugimoto; Hiroo Miyagawa; Kunihiro Kitamura; Junichiro Makino
- Publisher
- John Wiley and Sons
- Year
- 1994
- Tongue
- English
- Weight
- 434 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
β¦ Synopsis
The special-purpose computer GRAPE-2A accelerates the calculation of pairwise interactions in many-body systems. This computer is a back-end processor connected to a host computer through a Versa Module Europe ( W E ) bus. GRAPE-2A receives coordinates and other physical data for particles from the
π SIMILAR VOLUMES
## Abstract We describe the application of a special purpose board for molecular dynamics simulations, named MDGRAPEβ3, to the problem of simulating periodic bioβmolecular systems. MDGRAPEβ3 is the latest board in a series of hardware accelerators designed to calculate the nonbonding longβrange int