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Category: Main/Molecular Dynamics/Computational packages
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GROMACS 
Description: One of the best available free MD packages. It is very fast and may be optimized for modern AMD and Intell desktop processors. It supports MPI and easily scales over many processors on clusters and workstations. GROMACS is probably the most user-friendly MD package with extensive and clear documentation. It may be installed and used without deep UNIX knowledge.
Added on: 29-Sep-2003 Hits: 675
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MDynaMix
Description: “This is a general purpose molecular dynamics code for simulations of mixtures of either rigid or flexible molecules, interacting by AMBER-like force field in a periodic rectangular cell. In the case of flexible molecules the double time step algorithm is used. Algorithms for NVE, NVT and NPT statistical ensembles are employed, as well as optimized Ewald sum for treatment of the electrostatic interactions. The program can be run both in sequential and parallel execution. The parallel version employes "replicated data" strategy. It can be run on any parallel architecture or workstation cluster with MPI parallel environment installed.”
Added on: 26-Sep-2003 Hits: 515
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NAMD
Description: Popular and powerful free MD package. It is not for beginners. Documentation is rather technical and is unreadable if you are not the UNIX expert.
Added on: 26-Sep-2003 Hits: 808
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