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16 lines
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16 lines
1.0 KiB
Plaintext
ProtoMol is an object-oriented, component based, framework for molecular
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dynamics (MD) simulations. The framework supports the CHARMM 19 and 28a2 force
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fields and is able to process PDB, PSF, XYZ and DCD trajectory files. It is
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designed for high flexibility, easy extendibility and maintenance, and high
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performance demands, including parallelization. The technique of multiple
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time-stepping is used to improve long-term efficiency. The use of fast
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electrostatic force evaluation algorithms like Ewald, particle Mesh Ewald (PME),
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and Multigrid (MG) summation further enhances performance. Longer time steps
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are possible using MOLLY, Langevin Molly and Hybrid Monte Carlo, Nose-Hoover,
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and Langevin integrators. In addition, ProtoMol has been designed to interact
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with VMD, a visualization engine developed by the University of Illinois that is
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used for displaying large biomolecular systems in three dimensions. ProtoMol is
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freely distributed software, and the source code is available.
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WWW: http://protomol.sourceforge.net/
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