concatenating two systems

Dear users,

I need to read data from two data files and create a box consisting of atoms. I don’t know hot to change atom coordinates so that they do not interfere with each other.I want to have one system above the other in one box. I thought one way could be increasing one box dimension (in z direction) in the first data file and then reading the next data file and simultaneously using the “shift” option to shift the positions of atoms. Is there any other way to do it? what about the “boundary m” option? Is it helpful to determine flexible box dimension?

Thanks,

NEDA

Dear users,
I need to read data from two data files and create a box consisting of
atoms. I don't know hot to change atom coordinates so that they do not
interfere with each other.I want to have one system above the other in one
box. I thought one way could be increasing one box dimension (in z
direction) in the first data file and then reading the next data file and
simultaneously using the "shift" option to shift the positions of atoms. Is
there any other way to do it? what about the "boundary m" option? Is it
helpful to determine flexible box dimension?

everything you ask about should be explained in the documentation for
the read_data command, or can be quickly validated by making a test
with two data files containing only a handful of atoms, where you
would do your two (or more) read_data commands and then issue a
write_data or write_dump command and inspect the resulting file (in a
text editor or through visualization) to see, if you get the desired
result.

axel.