𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A local reaction field method for fast evaluation of long-range electrostatic interactions in molecular simulations

✍ Scribed by Lee, Frederick S.; Warshel, Arieh


Book ID
121809807
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
851 KB
Volume
97
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Development of hardware accelerator for
✍ Takashi Amisaki; Shinjiro Toyoda; Hiroh Miyagawa; Kunihiro Kitamura πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 302 KB πŸ‘ 1 views

## Abstract Evaluation of long‐range Coulombic interactions still represents a bottleneck in the molecular dynamics (MD) simulations of biological macromolecules. Despite the advent of sophisticated fast algorithms, such as the fast multipole method (FMM), accurate simulations still demand a great

A multiple time step algorithm compatibl
✍ Vincent KrΓ€utler; Philippe H. HΓΌnenberger πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 224 KB

## Abstract A new algorithm is introduced to perform the multiple time step integration of the equations of motion for a molecular system, based on the splitting of the nonbonded interactions into a series of distance classes. The interactions between particle pairs in successive classes are update