Parameters to fit ellipse to contour line (TIP4P/2005)

Contains parameters of the ellipse (as mentioned in the SI appendix of the article) that fits the PMF contour lines (in the contour lines folder). Each file contains the parameter key word followed by its value, separated by white space. the last two entries in the file indicate the accuracy of fit (r2 value and the chi2 value of the fit).This file contains the data of TIP4P/2005 water modelThis 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

该数据集包含了椭圆的参数（如文章的SI附录中所述），这些参数适用于PMF轮廓线（位于轮廓线文件夹中）。每个文件包含参数关键字及其值，两者之间以空白字符分隔。文件中的最后两个条目表示拟合的精度（拟合的r2值和拟合的chi2值）。此文件包含TIP4P/2005水模型的数值数据。该数据项属于“基于平均势能识别液态水中强氢键和弱氢键的潜在数据集”这一系列，链接为https://doi.org/10.11583/dtu.c.5324957。