NAMD-LITE AND MOLECULAR SIMULATION METHODS DEVELOPMENT

NAMD-Lite 和分子模拟方法开发

• 批准号: 7723593
• 负责人: DAVID J HARDY
• 金额: $ 6.32万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-08-01 至 2009-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7723593
• 关键词: Code; Complication; Computer Retrieval of Information on Scientific Projects Database; Development; Freedom; Funding; Grant; Illinois; Institution; Intention; Language; Licensing; Methods; Modification; Molecular; Research; Research Personnel; Resources; Scientist; Source; Source Code; Testing; United States National Institutes of Health; Universities; design; method development; open source; simulation

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. NAMD-Lite (http://www.ks.uiuc.edu/Development/MDTools/namdlite/) is a rapid prototyping framework for developing new simulation methods for biomolecules, consisting of sequential C language code with a modular design. The intention is to separate the development of methods from the additional complication due to parallel implementation, providing a simpler way to test and validate new methods before bringing them into NAMD (http://www.ks.uiuc.edu/Research/namd/). The source code is distributed under the University of Illinois/NCSA Open Source License (http://www.opensource.org/licenses/UoI-NCSA.php) to allow scientists complete freedom over all of their code modifications.

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 (http://www.ks.uiuc.edu/Development/MDTools/namdlite/)是一个快速原型框架，用于开发新的生物分子模拟方法，由模块化设计的顺序C语言代码组成。其目的是将方法的开发与并行实现带来的额外复杂性分开，在将新方法引入NAMD(http://www.ks.uiuc.edu/Research/namd/).)之前提供一种更简单的方法来测试和验证新方法源代码在伊利诺伊大学/美国国家科协开放源码许可证(http://www.opensource.org/licenses/UoI-NCSA.php)下分发，允许科学家完全自由地修改他们的所有代码。