Article detail · 1996
NAMD A parallel object oriented molecular dynamics program
Journal
INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCECOMPUTINGISSN 1078-3482
- Year
- 1996
- Type
- article
Data source split
- YÖKSİS YÖKSİS article record
- YÖKSİS venue INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCECOMPUTING
- OpenAlex OpenAlex enrichment (abstract, citations, topics)
Abstract
OpenAlex · English
NAMD is a molecular dynamics program designed for high performance simulations of large biomolecular systems on parallel computers. An object-oriented design imple mented using C++ facilitates the incorporation of new algorithms into the program. NAMD uses spatial decom position coupled with a multithreaded, message-driven design, which is shown to scale efficiently to multiple processors. Also, NAMD incorporates the distributed par allel multipole tree algorithm for full electrostatic force evaluation in O( N) time. NAMD can be connected via a communication system to a molecular graphics program in order to provide an interactive modeling tool for viewing and modifying a running simulation. The application of NAMD to a protein-water system of 32,867 atoms illus trates the performance of NAMD.
Topics
Citations
OpenAlex cited_by_count. Not a WoS or Scopus citation count; those sources have no separate column here.
571 citations
OpenAlex cited_by_count (cache / database)
37 publications in the local catalog that cite this work (OpenAlex reference match; not the full global list).
- NAMD2 Greater scalability for parallel molecular dynamics 1999
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