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PMF Files (iAMOEBA)

dataset
posted on 2021-03-04, 15:14 authored by Aswin Vinod Muthachikavil, Xiaodong LiangXiaodong Liang, Georgios M. Kontogeorgis, Baoliang Peng
<p>Contains files with data of PMF landscape at different temperatures and pressures. The file names indicate the temperature and pressure of the system.</p><p><br></p><p>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 kT</p><p><br></p><p>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></p>

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