ISST Deca-Alanine
收藏DataCite Commons2023-04-27 更新2025-04-17 收录
下载链接：
https://datashare.ed.ac.uk/handle/10283/3251
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资源简介：
This dataset contains a deca-alanine trajectory analysed in paper "Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems" by Trstanova et.al. 2019. The trajectory was obtained using an implementation of the Infinite Switch Simulated Tempering method (Martinsson et. al 2018) within the MIST library with GROMACS.
提供机构：
University of Edinburgh. School of Mathematics
创建时间：
2019-01-29
