Translocation time of the water molecules

LAMMPS LAMMPS Beginners
1

Dear All,

I want to compute the translocation time of water molecules passing through a carbon nanotube. As I understand, fix srd command is a way to do that. Is it true?

Any comments will be appreciated

2

I am confused. What has translocation to do with stochastic rotation dynamics?
What you want to compute is best done in post-processing.

3

yes, it seems I had a misunderstanding about fix srd.

As your simple suggestion, which parameters can we directly get from LAMMPS for any post-processing calculation?

4

You want to post-process the trajectory of the water oxygen atoms. Write a code to monitor the positions when they enter and exit the CNT and get the time from the number of steps.