VMD-L Mailing List

From: Benjamin Cowen (bjcowen90_at_gmail.com)
Date: Sat Apr 04 2015 - 21:46:30 CDT

May I ask a question about Topotools?

When generating lammps data file from xyz format per say, the box bounds
are -0.5 to 0.5 for all dimensions, yet my atomic coordinates go up much
higher than this. All I am doing is loading in xyz file into VMD, opening
up TKconsole, and then doing:

topo writelammpsdata SiC.lmp

Everything else looks fine with the data file except for the box bounds.

Best Regards,

Ben