PMF contour lines (TIP4P/2005)

<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 TIP4P/2005 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>