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[lammps-users] Opening Centre of Mass (COM) dump file in VMD
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[lammps-users] Opening Centre of Mass (COM) dump file in VMD


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.