Hb Lifetime distribution calculation

User discussions
1

GROMACS version: 2020.6
GROMACS modification: Yes/No
I tried to calculate the hydrogen bond life time distribution using

gmx module hbond with -life flag. The result I obtained is attached here

hb_life
hb_life792×612 20 KB
, how to interpret this graph. when looking into the literature the lifetime distribution calculated by other people, shows different graphs. for reference (Universal features in the lifetime distribution of clusters in hydrogen-bonding liquids - Physical Chemistry Chemical Physics (RSC Publishing)). is there any postprocessing needed to calculate the distribution?

2

Based off the graphs in the paper, they seem to only be investigating the lifetime distribution within 0.16 ps, with their study of long-timescale behaviour only extending up to 2 ps. The graphs they use also plot the lifetime distribution on a log10 scale so the patterns are more visible.