User contributions for Carl McBride
A user with 9,509 edits. Account created on 15 February 2007.
12 June 2007
- 14:4114:41, 12 June 2007 diff hist +520 N Shell model New page: The '''dynamical shell model''' is also known as the adiabatic shell model. ==References== #[http://dx.doi.org/10.1088/0953-8984/5/8/005 P J D Lindan and M J Gillan "Shell-model molecula...
- 14:3714:37, 12 June 2007 diff hist +56 Idealised models →'Charged' models
- 14:3214:32, 12 June 2007 diff hist +34 Biographies No edit summary
- 14:3214:32, 12 June 2007 diff hist +147 N Max Karl Ernst Ludwig Planck New page: '''Max Karl Ernst Ludwig Planck''' (April 23, 1858 in Kiel, Germany – October 4, 1947 in Göttingen, Germany) ==References== Category: Person
- 14:2214:22, 12 June 2007 diff hist +72 TTM2-F model of water No edit summary
- 14:2214:22, 12 June 2007 diff hist +430 N TTM2-R model of water New page: A rigid model of water, see also TTM2-F for a flexible version. ==References== #[http://dx.doi.org/10.1063/1.1423942 Christian J. Burnham and Sotiris S. Xantheas "Development o...
- 14:1814:18, 12 June 2007 diff hist 0 List of ab initio water models →T
- 14:1814:18, 12 June 2007 diff hist +400 N TTM2-F model of water New page: ==References== #[http://dx.doi.org/10.1063/1.1447904 C. J. Burnham and S. S. Xantheas "Development of transferable interaction models for water. IV. A flexible, all-atom polarizable p...
- 14:1514:15, 12 June 2007 diff hist +25 List of ab initio water models →T
- 14:0814:08, 12 June 2007 diff hist +549 N PPC model of water New page: A '''polarizable point-charge''' (PPC) model for water. ==References== #[http://dx.doi.org/10.1126/science.265.5176.1219 Peter G. Kusalik and Igor M. Svishchev "The Spatial Structure ...
- 13:5813:58, 12 June 2007 diff hist +118 ENCAD (force field) No edit summary
- 13:5513:55, 12 June 2007 diff hist +522 N NEMO model of water New page: ==References== #[http://dx.doi.org/10.1021/j100367a078 A. Wallqvist, P. Ahlstroem, and G. Karlstroem "New intermolecular energy calculation scheme: applications to potential surface and li...
- 13:3713:37, 12 June 2007 diff hist +317 N NCC model of water New page: ==References== #[http://dx.doi.org/10.1021/j100383a037 U. Niesar, G. Corongiu, E. Clementi, G. R. Kneller, and D. K. Bhattacharya "Molecular dynamics simulations of liquid water using the ...
- 13:2913:29, 12 June 2007 diff hist +151 SklogWiki:About No edit summary
- 13:1413:14, 12 June 2007 diff hist +285 N RD-SHAKE New page: ==References== #[http://dx.doi.org/10.1016/0010-4655(94)90230-5 W. Smith and T. R. Forester "Parallel macromolecular simulations and the replicated data strategy : II. The RD-SHAKE algorit...
- 13:1013:10, 12 June 2007 diff hist +291 N Q-SHAKE New page: ==References== #[http://dx.doi.org/10.1002/(SICI)1096-987X(19980115)19:1 Timothy R. Forester, William Smith "SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodie...
- 13:0513:05, 12 June 2007 diff hist +260 N Rhombic dodecahedral periodic boundary conditions New page: ==References== #[http://dx.doi.org/10.1080/08927029308022499 W. Smith; D. Fincham "The Ewald Sum in Truncated Octahedral and Rhombic Dodecahedral Boundary Conditions", Molecular Simulation...
- 13:0513:05, 12 June 2007 diff hist +260 N Truncated octahedral periodic boundary conditions New page: ==References== #[http://dx.doi.org/10.1080/08927029308022499 W. Smith; D. Fincham "The Ewald Sum in Truncated Octahedral and Rhombic Dodecahedral Boundary Conditions", Molecular Simulation...
- 13:0113:01, 12 June 2007 diff hist +15 Classical molecular dynamics No edit summary
- 13:0013:00, 12 June 2007 diff hist +312 N LINCS New page: ==References== #[http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12 Berk Hess, Henk Bekker, Herman J. C. Berendsen and Johannes G. E. M. Fraaije "LINCS: A linear constraint solver for ...
- 12:5812:58, 12 June 2007 diff hist +11 Classical molecular dynamics No edit summary
- 12:5712:57, 12 June 2007 diff hist +368 N SETTLE New page: An analytical version of the SHAKE and RATTLE algorithm for rigid water models. ==References== #[http://dx.doi.org/10.1002/jcc.540130805 Shuichi Miyamoto, Peter A. Kollman "Settle:...
- 12:5512:55, 12 June 2007 diff hist +12 Classical molecular dynamics No edit summary
- 12:5312:53, 12 June 2007 diff hist +281 N WIGGLE New page: ==References== #[http://dx.doi.org/10.1016/j.jcp.2005.04.006 Sang-Ho Lee, Kim Palmo and Samuel Krimm "WIGGLE: A new constrained molecular dynamics algorithm in Cartesian coordinates", Jou...
- 12:5212:52, 12 June 2007 diff hist 0 Classical molecular dynamics No edit summary
- 12:5112:51, 12 June 2007 diff hist +271 N RATTLE New page: ==References== #[http://dx.doi.org/10.1016/0021-9991(83)90014-1 Hans C. Andersen "RATTLE: A “velocity” version of the shake algorithm for molecular dynamics calculations", Journal of...
- 12:4912:49, 12 June 2007 diff hist +12 Classical molecular dynamics No edit summary
- 12:4812:48, 12 June 2007 diff hist +352 N M-SHAKE New page: ==References== #[http://dx.doi.org/10.1002/1096-987X(20010415)22:5 Vincent Kräutler, Wilfred F. van Gunsteren, Philippe H. Hünenberger "A fast SHAKE algorithm to solve distance constrain...
- 12:4312:43, 12 June 2007 diff hist +302 SHAKE No edit summary
- 12:4012:40, 12 June 2007 diff hist +422 N P-SHAKE New page: An algorithm for solving arbitrary linear constraints in molecular dynamics simulations of rigid and semi-rigid molecules is presented. The algorithm - P-SHAKE - is a modified version of t...
- 12:3712:37, 12 June 2007 diff hist +47 N SHAKE New page: ==REFERENCES== Category: Molecular dynamics
- 12:3612:36, 12 June 2007 diff hist +42 Classical molecular dynamics No edit summary
- 12:3312:33, 12 June 2007 diff hist +540 N ASP-W model of water New page: ==References== *[http://dx.doi.org/10.1080/00268979200102541 Claude Millot; Anthony J. Stone "Towards an accurate intermolecular potential for water", Molecular Physics '''77''' pp. 439-46...
- 12:2312:23, 12 June 2007 diff hist +237 N PSRWK model of water New page: ==References== #[http://dx.doi.org/10.1063/1.461515 Michiel Sprik "Hydrogen bonding and the static dielectric constant in liquid water", Journal of Chemical Physics '''95''' pp. 6762-6769 ...
- 12:1512:15, 12 June 2007 diff hist +671 N PTIP4P model of water New page: ==References== #[http://dx.doi.org/10.1063/1.455722 Michiel Sprik and Michael L. Klein "A polarizable model for water using distributed charge sites", Journal of Chemical Physics '''89...
- 11:4811:48, 12 June 2007 diff hist 0 Perturbation theory No edit summary
- 11:4711:47, 12 June 2007 diff hist +49 Bond fluctuation model No edit summary
- 11:4611:46, 12 June 2007 diff hist +38 Polymers No edit summary
- 11:4311:43, 12 June 2007 diff hist 0 Hyper-netted chain No edit summary
- 11:4311:43, 12 June 2007 diff hist +19 Hyper-netted chain No edit summary
- 11:3311:33, 12 June 2007 diff hist +217 Ewald sum No edit summary
- 11:2711:27, 12 June 2007 diff hist +250 GROMACS No edit summary
- 11:2411:24, 12 June 2007 diff hist +486 AMBER forcefield No edit summary
- 11:2211:22, 12 June 2007 diff hist +61 ENCAD (force field) No edit summary
- 11:1711:17, 12 June 2007 diff hist +26 Polymers No edit summary
- 11:1311:13, 12 June 2007 diff hist +46 Perturbation theory No edit summary
- 10:5510:55, 12 June 2007 diff hist +485 N AMBERN force field New page: AMBER-95 parameters for nucleic acids. ==References== #[http://dx.doi.org/10.1021/ja00124a002 Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly, Ian R. Gould, Kenneth M. Merz, ...
- 10:5210:52, 12 June 2007 diff hist +12 Force fields No edit summary
- 10:4610:46, 12 June 2007 diff hist +225 ENCAD (force field) No edit summary
- 10:4510:45, 12 June 2007 diff hist +253 N AMOEBA model of water New page: ==References== #[http://dx.doi.org/10.1021/jp027815+ Pengyu Ren and Jay W. Ponder "Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation", Journal of Physical Chemist...