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SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies

โœ Scribed by Forester, Timothy R.; Smith, William

Book ID
101221776
Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
78 KB
Volume
21
Category
Article
ISSN
0192-8651

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โœฆ Synopsis

There is an error of omission of the centrifugal terms from the description of the angular motion, which spans eqs. ( 6) to ( 11). The simplest fix appears to be to rewrite eq. ( 7) in the following manner:

๐Ÿ“œ SIMILAR VOLUMES

SHAKE, rattle, and roll: Efficient const
SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies
โœ Forester, Timothy R.; Smith, William ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 258 KB

We present an iterative constraint algorithm, QSHAKE, for use with semirigid molecules in molecular dynamics simulations. The algorithm is based on ''SHAKE-ing'' bond constraints between rigid bodies, whose equations of motion are solved in the quaternion framework. The algorithm is derived and its

Settle: An analytical version of the SHA
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
โœ Shuichi Miyamoto; Peter A. Kollman ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 890 KB

An analytical algorithm, called SETTLE, for resetting the positions and velocities to satisfy the holonomic constraints on the rigid water model is presented. This method is still based on the Cartesian coordinate system and can be used in place of SHAKE and RATTLE. We implemented this algorithm in