Molecular simulation data for "Data-guided Multi-Map variables for ensemble refinement of molecular movies"
收藏DataCite Commons2021-01-01 更新2025-04-09 收录
下载链接：
https://www.osti.gov/servlets/purl/1674982/
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资源简介：
These trajectories, scripts, and analysis performed on Summit underly the work published as "Data-guided Multi-Map variables for ensemble refinement of molecular movies". The trajectories include equilibrium and non-equilibrium sampling of ADK, CODH, and FLPP3, the scripts used to build the systems, and the scripts used to analyze the output. The directory structure is explained further in an internal README file.
提供机构：
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
创建时间：
2021-01-01
