From: Nathan Kern (
Date: Mon Aug 03 2020 - 10:28:15 CDT

The .dcd files don't contain any structural information, only coordinates.
This can be provided by a .psf file. The minimal collection of files to
load frames into VMD is a .psf and .dcd. If you don't have a .psf file, you
can sometimes use a .pdb file instead, although this will load the
coordinates of the .pdb into the first frame.

On Mon, Aug 3, 2020 at 11:20 AM Keister, Bradley <> wrote:

> I’m new to VMD, and was told that I could visualize LAMMPS output with
> VMD. I’m assuming this meant .dcd files. When I try to run VMD on a Mac.
> It asks me to “load a molecule” when in fact I have an output from a
> molecular dynamics simulation. I’ve read elsewhere that a .psf file might
> be needed.
> Can someone point me to a simple collection of files from a LAMMPS MD run
> that will load properly into VMD?