𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Correlation of the step size and number of steps in Monte Carlo simulations of spin label ESR spectra

✍ Scribed by S Galindo; H Jiménez-Domínguez; L González-Tovany; H Flores-Llamas

Publisher
Elsevier Science
Year
1989
Weight
265 KB
Volume
82
Category
Article
ISSN
0022-2364

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Concurrent and vectorized Monte Carlo si
Concurrent and vectorized Monte Carlo simulation of the evolution of an assembly of particles increasing in number
✍ Chia-Jiu Wang; Chwan-Hwa Wu 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 636 KB

Carlo techniques for simulating the evolution of an assembly of charged particles interacting with a background gas medium under the influence of an electrical field are presented. This simulation problem has inherent parallelism in nature. All the particles can be traced independently in a short ti

A multiple time step algorithm compatibl
A multiple time step algorithm compatible with a large number of distance classes and an arbitrary distance dependence of the time step size for the fast evaluation of nonbonded interactions in molecular simulations
✍ Vincent Kräutler; Philippe H. Hünenberger 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 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