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Carl McBride (talk | contribs) (New page: [http://www.itap.physik.uni-stuttgart.de/~imd/index.html IMD] is a software package for classical molecular dynamics simulations. Several types of interactions are supported, such as c...) |
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Revision as of 12:16, 8 February 2008
IMD is a software package for classical molecular dynamics simulations. Several types of interactions are supported, such as central pair potentials, EAM potentials for metals, Stillinger-Weber and Tersoff potentials for covalent systems, and Gay-Berne potentials for liquid crystals. A rich choice of simulation options is available: different integrators for the simulation of the various thermodynamic ensembles, options that allow to shear and deform the sample during the simulation, and many more.