Technical University of Denmark
Browse
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
Download file
1/3
56 files

Hbond List (TIP4P/2005)

dataset
posted on 2021-03-04, 15:08 authored by Aswin Vinod MuthachikavilAswin Vinod Muthachikavil, Xiaodong LiangXiaodong Liang, Georgios M. Kontogeorgis, Baoliang Peng
Hbond_List: Contains files with list of molecules that are hydrogen bonded to each molecules, when considering the 2 hydrogen bond criteria mentioned in the article (PMF = 0 kT and PMF = -2 kT). Data is available at different temperatures and pressures. Each file name indicates the temperature, pressure and the hydrogen bond cut-off criterion used.

This folder contains data for TIP4P/2005 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

History