SCALABLE MOLECULAR DYNAMICS SOFTWARE NAMD

可扩展的分子动力学软件 NAMD

• 批准号: 8363643
• 负责人: JAMES A PHILLIPS
• 金额: $ 14.92万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-08-01 至 2012-09-09
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8363643
• 关键词: Bioinformatics; Charge; Code; Computer software; Funding; Grant; Modeling; National Center for Research Resources; Paper; Performance; Principal Investigator; Research; Research Infrastructure; Resources; Source; Source Code; System; Time; United States National Institutes of Health; cost; design; molecular dynamics; nanoscale; simulation; supercomputer

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. NAMD (Nanoscale Molecular Dynamics, http://www.ks.uiuc.edu/Research/namd/) is a parallel molecular dynamics code designed for high performance simulation of large biomolecular systems [1, 2]. NAMD employs the prioritized message-driven execution capabilities of the Charm++/Converse parallel runtime system (http://charm.cs.uiuc.edu/), allowing excellent parallel scaling on both massively parallel supercomputers and commodity workstation clusters. NAMD is distributed free of charge to over 44,000 registered users as both source code and convenient precompiled binaries. 11,700 users have downloaded multiple releases. The 2005 NAMD reference paper [2] has been cited over 1500 times. NAMD 2.7 was released in October 2010 and has been downloaded by over 4,600 users, 800 NIH-funded.

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