coordinates of a particular atom_2d material

Dear Users

I am trying to track the position of an atom with a given ID while running the simulations.

I am storing the coordinates of the atom using the below part of script



This sounds like a VMD issue, not a LAMMPS issue. My hunch is that
VMD may shift the atom coordinates after reading the dump file (in
order to center the system in the field of view, or perhaps as a
result of wrapping the trajectory due to periodic boundary conditions,
or some combination of both).

The way to resolve this is to open up the dump file yourself and see
what is stored there. (Use a robust text editor which can handle
large files (like vim or emacs) and look for the last frame (the text
below the last "TIMESTEP" command). (If you don't want the last
frame, then search for the frame with the correct timestep.) Then
look for the line containing the correct atomID, and check the x y z



Atom indexes in VMD start with 0, while LAMMPS atom IDs begin with 1.