PMF Contour lines (iAMOEBA)
收藏DataCite Commons2021-03-04 更新2025-04-10 收录
下载链接：
https://data.dtu.dk/articles/dataset/PMF_Contour_lines_iAMOEBA_/14138084/1
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资源简介：
<b>PMF Contour lines: </b>Contains files with data of contour lines along PMF=0 kT and PMF = -2 kT. Files are named to indicate the corresponding temperature, pressure and the PMF value. The contour lines are extracted from the corresponding PMF file (mentioned in 1.) using Origin Pro 2019.<br>This folder contains data of iAMOEBA water model. The x column in each file corresponds to O--H distance (A) and y corresponds to O-H-O angle (degrees). <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>
提供机构：
Technical University of Denmark
创建时间：
2021-03-04
