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Implementation of a molecular dynamics approach with rigid fragments to simulation of chemical reactions in biomolecular systems

โœ Scribed by A. A. Moskovskii; I. A. Kaliman; A. V. Akimov; S. S. Konyukhov; B. L. Grigorenko; A. V. Nemukhin


Book ID
111494647
Publisher
Allerton Press Inc
Year
2007
Tongue
English
Weight
185 KB
Volume
62
Category
Article
ISSN
0027-1314

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A new approach for long range correction
โœ Ali Asghar Davoodi; Farzaneh Feyzi ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 374 KB

In the application of long range corrections to calculation of potential energy and pressure utilizing molecular dynamics simulation, it is common to use a longer distance of cut-off to obtain more accurate results. The radial distribution function is assumed to be equal to unity in conventional ter