VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Mar 25 2015 - 20:07:42 CDT

On Mar 25, 2015 5:35 PM, "Yihua Zhou" <yiz311_at_lehigh.edu> wrote:
>
> Hi all
>
> I dumped the ***.xyz file for a simulation with LAMMPS. The periodic
simulation box keeps expanding in my system. I want to visualize the
simulation box in every step. But I found that the ***.xyz file didn't
record the periodic boundary information. Is there any way that I can
achieve my goal? BTW, I could just define the box as on center of the
farthest atoms on each side. Thanks very much and any suggestion is
appreciated.

You cannot get back information you have destroyed. The better choice is to
write out native lammps dump files (atom or custom style), that vmd can
read as well including cell information.

Axel.

>
> Best regards
>
> Rita