- The produced data file from the restart file and deleting image flags
works well without replication but not with replication.
I've already explained this several times.
Your data file, that you handset all the image flags to 0 has these lines:
8613 173 1 0.0000000000000000E+00 2.9780065249821700E+01 2.2678119449388100E+01 5.3045953496351800E+01 0 0 0
8614 173 1 0.0000000000000000E+00 3.0958439542555200E+01 2.2815807673457600E+01 -5.3161004706033900E+01 0 0 0
Look at the z values. Those atoms are bonded to each other and
are 100 Angs apart, on opposite
sides of the periodic box. You cannot use that data file
with the replicate command. The image flags must be consistent (off
by 1 in this case).
I don't know how you got bad image flags. Likely from using
inconsistent versions of the code, when the format of image
flags in the restart file changed, or as processed by the restart2data
tool changed.
Just use the current version of the code, rerun your simulations,
and I am guessing everything will be fine. Or make your data
file correct.
Steve