Dear Lammps users,
I have a question regarding the rerun command. I am new to Lammps and as an exercise in learning how to use the rerun command and ave/time fix I have been trying to run a simple LJ fluid simulation and dumping the coordinates with the aim of using the rerun command to calculate the radial distribution function at a longer cut-off.
To the best of my knowledge I seem to be reading in the dump correctly as the thermo data from the rerun appears to be consistent with that of the original run.
The rdf however is zero for all of the vector elements and I can’t work out why this may be as presumably the coordinates have been read in correctly.
Assistance with this would be greatly appreciated. I have attached both the initial run’s script and the rerun script which are named in.ljrun and in.ljrerun respectively.
Thank you in advance, Jeff Armstrong.
in.ljrun (700 Bytes)
in.ljrerun (480 Bytes)