|From:||"Sonibare, Kolawole" <kasonibare42@...6053...>|
|Date:||Mon, 16 Apr 2018 21:30:18 +0000|
Dear Lammps User,
I have just written out the Centre-of Mass (COM) coordinates for the molecules in my simulation using:
compute cc1 all chunk/atom molecule compute myChunk all com/chunk cc1 fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
The intention is to use this to get the radial distribution function, g(r) on VMD as I have read here. The problem I have is that VMD cannot directly open this file. Please how can I get this done? Thank you very much.