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

From: "Sonibare, Kolawole" <kasonibare42@...6053...>
Date: Mon, 16 Apr 2018 22:25:29 +0000

Thank you very much for this, Axel. 

On Apr 16, 2018 16:47, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Mon, Apr 16, 2018 at 5:30 PM, Sonibare, Kolawole
<kasonibare42@...6053...> wrote:
> 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.

this is not a LAMMPS question, but a VMD question. you should post
these kind of questions on the VMD mailing list.
the *very* obvious answer is: write a little tool, that converts the
output you have into a file format that *is* by VMD.
for details on that, you *definitely* should read the VMD docs and ask
further questions on the VMD mailing list.


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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.