SOFTWARE DEVELOPMENT TO CONVERT TOPOLOGY FILES FROM AMBER TO GROMACS FORMAT

将拓扑文件从 AMBER 格式转换为 GROMACS 格式的软件开发

• 批准号: 8168873
• 负责人: ROBERT J WOODS
• 金额: $ 0.17万
• 依托单位: UNIVERSITY OF GEORGIA
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-04-10 至 2011-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8168873
• 关键词: Amber; Computer Retrieval of Information on Scientific Projects Database; Funding; Grant; Institution; Research; Research Personnel; Resources; Running; Source; United States National Institutes of Health; computerized tools; file format; simulation; software development; Amber; Computer Retrieval of Information on Scientific Projects Database; Funding; Grant; Institution; Research; Research Personnel; Resources; Running; Source; United States National Institutes of Health; computerized tools; file format; simulation; software development

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. To aid in the dissemination of the GLYCAM force field, a computational tool is being developed that will automatically convert file formats so that either the AMBER or GROMACS simulational packages may be employed to run MD simulations with the GLYCAM force field.

该副本是利用众多研究子项目之一 由NIH/NCRR资助的中心赠款提供的资源。子弹和 调查员（PI）可能已经从其他NIH来源获得了主要资金， 因此可以在其他清晰的条目中代表。列出的机构是 对于中心，这不一定是调查员的机构。 为了帮助传播GLYCAM力场，正在开发一种计算工具，该工具将自动转换文件格式，以便可以使用Amber或Gromacs Simulational软件包使用GlyCam Force Field运行MD模拟。