Converting .lammpstrj to data file


I am working on converting a lammpstrj file to a data file using topo writelammpsdata and topotools 1.2. The box I am using has tilt, but once it is in the data file it no longer has tilt. I have tried manually adding the tilt I see from the lammpstrj, but it produces an incorrect box. Is there a better way to get the box tilt correct besides just doing it by guess and checking? Thank you for any help!

-Samantha Walker


If the goal is to restart a calculation using the coordinates, velocities, etc in the lammpstrj (dump file), you could use the read_dump command( within LAMMPS. Alternatively, you could load the dump file in OVITO ( and then export it back out ( using the LAMMPS data format. Both methods will preserve the box.

-Mitch Wood

Your version of vmd and topotools are far too old. Please update.