VMD-L Mailing List

From: Christian Leitold (christian.leitold_at_gmail.com)
Date: Thu Jun 09 2016 - 11:12:10 CDT

On 9 June 2016 at 17:45, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> you have to signal VMD, that you have velocities in the time step metadata.
> please have a look at the LAMMPS plugin.

Thanks, I'll have a look at that.

> in fact, i would suggest rather than hacking VMD plugins, simply
> convert your custom file into a LAMMPS format file, or generate it
> directly. it is not very different from what a hacked .xyz file would
> contain.
> rather than using a private non-standard customization, you would
> output a documented and supported file format and those files would
> not only be readable by VMD, but all programs that use the VMD plugins
> (e.g. pymol) and others that support the LAMMPS file format directly.
> with your hacked .xyz format, you would only be compatible to your
> hacked plugin.

Yes, you are of course right. I just thought it might be easiest to
modify the plugin, as I have already a lot of custom XYZ files around.

Christian