VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Aug 19 2020 - 10:10:46 CDT

The TopoTools plugin does not read dump files but data files.
It currently supports atom styles atomic, bond, angle, molecular, charge,
full, and sphere.
Adding support for most other atom styles is non-trivial (or else it
would be already done). The atom style has to be specified explicitly when
loading the file since the file format is not self-describing, so the atom
style cannot be reliably inferred from the data in the file.

LAMMPS (atom or custom style, text mode) dump files can be read through the
lammpstrj molfile plugin.

Axel.

On Wed, Aug 19, 2020 at 10:55 AM Yasser Almeida-Hernandez <
yasser.almeida-hernandez_at_uni-due.de> wrote:

> Hi all,
>
> I want to visualize some LAMMPS's dump files, but they are written in a
> different atom style (other than 'full'). How can I add a new atom style
> to TopoTools 1.8? I tried to include it based on the 'full'
> style but it didn't work.
>
> Thanks in advance,
> Yasser
>
> --
> Dr. Yasser Almeida-Hernandez
> Postdoctoral Researcher
> Computational Biochemistry
> T03 R01 D45
> Faculty of Biology
> University of Duisburg-Essen
> Universitätsstr. 2, 45117 Essen
> Email: yasser.almeida-hernandez_at_uni-due.de
> Phone: +49 201 183 2457
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.