Parameters to fit ellipse to contour line (iAMOEBA)
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https://figshare.com/articles/dataset/Parameters_to_fit_ellipse_to_contour_line_iAMOEBA_/14138090
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资源简介:
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 iAMOEBA 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



