Hi all lammps users,
I had questions regarding the replicate command before but I think replicate tool is a separate program that is capable of replicating the atoms and mapping them in a defined box. My questions are:
When we replicate for instance twice a chain of atoms and define outbox dimensions which is smaller than the double original box dimension, does the program force them to fit in the outbox following a periodic boundary condition?
Does this program only work with atomic style data? Because when I have atoms in molecular format and I use [-style molecular] it gives an error in command argument -style.
When I run it with atomic style it complains of an unknown identifier and just picks up a line within data file either in atoms section or bonds section.
I created a data file only for 2 atoms to test.
1 atom types
1 bond types
0 angle types
0 dihedral types
0 improper types
1 1 0.00 1.00 2.00
2 1 1.00 0.00 0.00
1 1 1 2
[[email protected]…158… burcu]$ ./replicate -style atomic -repeat 2 1 1 < data.trial> data.out
Error in input data file - unknown identifier 1 1 0.00 1.00 2.00
I am not good with c programming language. I would appreciate if someone can post more details on how to use this tool.