DATASET

230K_1atm.csv (504.47 kB)

DATASET

240K_1atm.csv (504.95 kB)

DATASET

250K_1atm.csv (507.75 kB)

DATASET

260K_1atm.csv (506.85 kB)

DATASET

270K_1atm.csv (506.28 kB)

DATASET

280K_1atm.csv (507.3 kB)

DATASET

290k_1atm.csv (491.26 kB)

DATASET

298K_1atm.csv (508.47 kB)

DATASET

298K_100atm.csv (508.47 kB)

DATASET

298K_200atm.csv (506.83 kB)

DATASET

298K_300atm.csv (508.43 kB)

DATASET

298K_400atm.csv (508.04 kB)

DATASET

298K_500atm.csv (508.5 kB)

DATASET

298K_600atm.csv (508.27 kB)

DATASET

298K_700atm.csv (508.46 kB)

DATASET

298K_800atm.csv (508.31 kB)

DATASET

298K_900atm.csv (506.86 kB)

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298K_1000atm.csv (508.7 kB)

DATASET

300K_1atm.csv (507.48 kB)

DATASET

310K_1atm.csv (508.08 kB)

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27 files

PMF Files (iAMOEBA)

dataset

posted on 2021-03-04, 15:14 authored by Aswin Vinod Muthachikavil, Xiaodong LiangXiaodong Liang, Georgios M. Kontogeorgis, Baoliang Peng

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 kT

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