๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Comprehensive Biophysics || 9.6 New Technologies for Molecular Dynamics Simulations

โœ Scribed by Chow, E.


Book ID
120365491
Publisher
Elsevier
Year
2012
Weight
718 KB
Category
Article
ISBN
0080957188

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๐Ÿ“œ SIMILAR VOLUMES


New approaches for molecular dynamics si
โœ Ramzi Kutteh ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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