Hbond List (TIP4P/2005)
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下载链接：
https://figshare.com/articles/dataset/Hbond_List_TIP4P_2005_/14138027
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资源简介：
Hbond_List: Contains files with list of molecules that are hydrogen bonded to each molecules, when considering the 2 hydrogen bond criteria mentioned in the article (PMF = 0 kT and PMF = -2 kT). Data is available at different temperatures and pressures. Each file name indicates the temperature, pressure and the hydrogen bond cut-off criterion used.
This folder contains data for TIP4P/2005 water model
This item is a part of the collection “Data for scientific article- Potential of mean force based identification of strong and weak hydrogen bonds in liquid water”, https://doi.org/10.11583/dtu.c.5324957
创建时间：
2021-03-04
