Music - Multipurpose Simulation Code. Music is the name of our general purpose molecular simulation code. It has been designed from the ground-up as an object-oriented molecular simulation code, intended both for users and developers. The object-orientedness results in faster development - new features can be easily ”plugged in” to the code with only minimal effort. It is written in Fortran 90, the widely used scientific programming language. Look at the bottom of this page for information about Obtaining the Code and the download link. We currently use Music for simulation of diffusion and adsoprtion in zeolites. It has also been used for liquid and gas simulations as well, and may be easily extended for solid simulations. It includes such forcefield elements as 12-6 Lennard-Jones and Buckingham potentials. Coulombic interactions are handled with Ewald summations and also smooth cuctoff schemes. Molecules may be fully flexible, including bond vibration, bond angles, bond torsion, and intramolecular repulsion. Another strong point of music is that it can combine MD and MC simulations easily to create hybrid sampling schemes. (e.g., Hybrid Monte Carlo)

Keywords for this software

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