PMF Files (iAMOEBA)

Contains files with data of PMF landscape at different temperatures and pressures. The file names indicate the temperature and pressure of the system.This folder contains data of iAMOEBA water model. The x column indicates the O--H distance (A), the y column contains the O-H-O angles (degrees) and the z column has the PMF values in kTThis 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

本数据集包含不同温度和压力下的PMF景观数据文件。文件名称标示了系统的温度和压力。该文件夹内收录了iAMOEBA水分模型的数据。X轴代表O--H距离（单位：Å），Y轴包含O-H-O角（单位：度），而Z轴则记录了PMF值（单位：kT）。该数据项为“基于平均势能识别液态水中强、弱氢键的科学论文数据集”，详情请参阅：https://doi.org/10.11583/dtu.c.5324957。