What is the exact meaning of the lifetime histogram of gmx select?

User discussions
1

GROMACS version: 2018.7
GROMACS modification: No

Dear Community,
I am wondering what is the meaning of the -olt in gmx select? I am looking at the solvent molecules in the proximity of a crystal. The histogram for the water molecules show a descending trend converging to a value around 100 when -olt option is employed. Does this mean that only 100 solvent molecules are “repeatedly selected” at each frame of the trajectory? Please see the figure…

hist
hist802×566 22.4 KB

Thank you for your responses.

2

Hi Ali,
I am also using this tool to calculate the lifetime of cations on a surface. Did you figure out the meaning of the output from the ‘-olt’ tag?
For example, one cation stayed in the designated region for 200 ps and then left this region. Later, it re-entered this region and stayed for 100 ps. Will the lifetime of this cation be considered as 300 ps or only 200 ps owing to the discontinuity? Thanks!