From: Michael Doig (
Date: Tue Jan 24 2012 - 05:48:04 CST

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
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?


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