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| The [http://dasher.wustl.edu/tinker/ TINKER] molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as the [[AMBER forcefield]] ([[AMBER forcefield#ff94 | ff94]], [[AMBER forcefield#ff96 | ff96]], [[AMBER forcefield#ff98 | ff98]] and [[AMBER forcefield#ff99 | ff99]]), [[CHARMM]] (19 and 27), Allinger MM ([[MM2]]-1991 and [[MM3]]-2000), [[OPLS]] (OPLS-UA, OPLS-AA and OPLS-AA/L), Liam Dang's polarizable potentials, and our own [[AMOEBA]] polarizable atomic multipole force field. Parameter sets for other standard force fields such as [[GROMOS]], [[UFF]], [[ENCAD]] and [[MM4]] are under consideration for future releases. | | The [http://dasher.wustl.edu/tinker/ TINKER] molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as [[AMBER]] ([[ff94]], [[ff96]], [[ff98]] and [[ff99]]), [[CHARMM]] (19 and 27), Allinger MM ([[MM2]]-1991 and [[MM3]]-2000), [[OPLS]] (OPLS-UA, OPLS-AA and OPLS-AA/L), Liam Dang's polarizable potentials, and our own [[AMOEBA]] polarizable atomic multipole force field. Parameter sets for other standard force fields such as [[GROMOS]], [[UFF]], [[ENCAD]] and [[MM4]] are under consideration for future releases. |
| ==See also==
| | [[Category: Materials modeling and Computer simulation codes]] |
| *[http://dasher.wustl.edu/ffe/ Force Field Explorer] a graphical user interface to the TINKER suite of molecular modelling tools.
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| ==References==
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| #J. W. Ponder and F. M. Richards "", Journal of Computational Chemistry '''8''' pp. 1016-1024 (1987)
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| #C. E. Kundrot, J. W. Ponder and F. M. Richards "", Journal of Computational Chemistry '''12''' pp. 402-409 (1991)
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| #[http://dx.doi.org/10.1006/jmbi.1996.0663 Michael E. Hodsdon, Jay W. Ponder and David P. Cistola "The NMR Solution Structure of Intestinal Fatty Acid-binding Protein Complexed with Palmitate: Application of a Novel Distance Geometry Algorithm", Journal of Molecular Biology '''264''' pp. 585-602 (1996)]
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| #[http://dx.doi.org/10.1021/jp982255t Rohit V. Pappu, Reece K. Hart, and Jay W. Ponder "Analysis and Application of Potential Energy Smoothing and Search Methods for Global Optimization", Journal of Physical Chemistry B '''102''' pp. 9725-9742 (1998)]
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| #[http://dx.doi.org/10.1002/jcc.10127 Pengyu Ren and Jay W. Ponder "Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations", Journal of Computational Chemistry '''23''' pp. 1497-1506 (2002)]
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| #[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 Chemistry B '''107''' pp. 5933-5947 (2003)]
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| [[Category: Materials modelling and computer simulation codes]] | |