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).<br>This file contains the data of TIP4P/2005 water model<br>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<br><br>

包含拟合势能面均值（Potential of Mean Force, PMF）等值线（位于等值线文件夹内）的椭圆参数（如文章补充信息附录（Supplemental Information appendix, SI appendix）所述）。每个文件包含参数关键词及其对应值，二者以空格分隔；文件末尾两项为拟合精度指标（拟合的r²值与χ²值）。<br>本文件包含TIP4P/2005水模型的数据<br>本项属于数据集"科学文章数据——基于势能面均值的液态水中强弱氢键识别"，其DOI为https://doi.org/10.11583/dtu.c.5324957<br><br>