From: Axel Kohlmeyer (
Date: Wed Sep 12 2018 - 23:50:14 CDT

On Mon, Sep 10, 2018 at 3:36 PM Sonibare, Kolawole <> wrote:

> Dear all, I am trying to convert a lammps trajectory file (.lammpstrj) to
> a gromacs trajectory file (.trj). I am trying to use catdcd to do this but
> I have a couple of problems.
> 1. The documentation says there would be a make file in the downloaded
> precompiled binaries, but there is nothing except the executable.
> Apparently, there has been some queries about this but I can't find any
> resolution of the issue. So I tried to instead to instead add the path of
> the executable to the .vmdrc file the way I would install a plugin. This
> didn't work too because when I type "catdcd" in my terminal, I get "command
> not found".
.vmdrc doesn't help. you have to add this to your general path for your
shell. hence the error.

> 1. Then I proceeded to run the executable directly. Whenever I try to
> do this, I get this error message:
> CatDCD 4.0
> Opening file 'abc.dcd' for writing.
> Opened file 'dump_abc.lammpstrj' for reading.
> Segmentation fault (core dumped)
> The lammpstrj file is just about 700MB and contains about 20,000 frames. I
> have 32gb RAM on my workstation and over 1tb of space.

this looks like an error in the command line. since you don't provide it,
nobody can help you.


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