I would like to compute mean square displacements of the system of atoms using parallel replica dynamics. I found the advise on the internet about dumping msd results but for regular computations.
compute msd all msd com yes
fix msd all ave/time 1 1 8000 c_msd[4] file msddumpfile
and when I use the same lines with prd the dump file is jumbled, probably because of the replica switch after an event has occured. could you please give me a hint what would be the best way to apply msd function to prd computations?