VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jan 24 2012 - 07:13:27 CST

On Jan 24, 2012, at 7:46 AM, Michael Doig <m.doig_at_sms.ed.ac.uk> wrote:

> I use the topotools plugin to generate LAMMPS topology data from an XYZ input file. I am using the newest version of topotools1.2 with VMD1.9.
>
> I have had no issues using it in the past for systems of smaller size.
>
> I have tried to use it for a system of approx ~380k atoms. I use the commands:
> topo retypebonds
> topo guessangles
> topo guessdihedrals
>
> which works fine, but then when I try to write the LAMMPS data file (topo writelammpsdata <FILENAME>), VMD always segfaults. (No other error message - just Segmentation Fault)
>
> Is this a VMD issue, a topotools issues, or will it just not work for systems of this size?

Please try again with the latest VMD beta version.

Axel

>
> Thanks,
> Michael
>
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