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Diffstat (limited to 'biology/protomol/pkg-descr')
-rw-r--r-- | biology/protomol/pkg-descr | 15 |
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diff --git a/biology/protomol/pkg-descr b/biology/protomol/pkg-descr new file mode 100644 index 000000000000..8a0b7239b89d --- /dev/null +++ b/biology/protomol/pkg-descr @@ -0,0 +1,15 @@ +ProtoMol is an object-oriented, component based, framework for molecular +dynamics (MD) simulations. The framework supports the CHARMM 19 and 28a2 force +fields and is able to process PDB, PSF, XYZ and DCD trajectory files. It is +designed for high flexibility, easy extendibility and maintenance, and high +performance demands, including parallelization. The technique of multiple +time-stepping is used to improve long-term efficiency. The use of fast +electrostatic force evaluation algorithms like Ewald, particle Mesh Ewald (PME), +and Multigrid (MG) summation further enhances performance. Longer time steps +are possible using MOLLY, Langevin Molly and Hybrid Monte Carlo, Nose-Hoover, +and Langevin integrators. In addition, ProtoMol has been designed to interact +with VMD, a visualization engine developed by the University of Illinois that is +used for displaying large biomolecular systems in three dimensions. ProtoMol is +freely distributed software, and the source code is available. + +WWW: http://protomol.sourceforge.net/ |