NAMD-LITE AND MOLECULAR SIMULATION METHODS DEVELOPMENT

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 NAMD-Lite(http://www.ks.uiuc.edu/Development/MDTools/namdlite/)是一种快速原型 开发新的生物分子模拟方法的框架，包括序列 C语言代码，采用模块化设计。其目的是将开发分开 方法避免了由于并行实现带来的额外复杂性，提供了一个更简单的 在将新方法引入NAMD之前测试和验证新方法的方法 (http://www.ks.uiuc.edu/Research/namd/).)源代码发布在 伊利诺伊大学/NCSA开放源码许可证允许科学家完全自由 使用和修改代码。

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-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 to allow scientists complete freedom to use and modify the code.