𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Nonholonomic constraints: A new viewpoint

✍ Scribed by Grabowski, J.; de León, M.; Marrero, J. C.; Martín de Diego, D.


Book ID
121248515
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
475 KB
Volume
50
Category
Article
ISSN
0022-2488

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✍ Ramzi Kutteh 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 560 KB

Three new algorithms are described for imposing nonholonomic constraints in molecular dynamics (MD) simulations, with any additional holonomic constraints. These approaches address the drawbacks of the commonly used Gaussian approach, which requires analytical expressions of the constraint forces an