Dear all
I’ve restarted an interrupted job and save results on a dump.lammptrj file using command dump_modify append yes.
Though simulation was finished successfully and the size of dump file was increased, the trajectories could not be displayed for time steps after restart operation. I tried both vmd and ovito.
Could anybody hint me on this issue?
Appending to a dump file is almost always a bad idea.
Most likely, your dump file was not correctly closed and thus some parts are missing or repeated resulting in a corrupted file on appending. When writing to separate files, this is avoided.
Axel
If the problem is what Axel is describing then opening the dump
file in an editor and looking at the snapshot before and after
the restart should reveal the problem. You may just
be able to trim out the partial (bad) snapshot if that is
the problem.
Steve