Dear you:
I have built up a box with a hole in the middle of the box.Tihs box is made up of two parts, the upper is the SiC and the lower is the Cu.
Firsty, i build up a complete box, then i dump the dumpfile after the equilibration.Secondly, I delete a group in the middle of the box and output the datafile.Finally, I read the datafile via lammps . However, when i run, thi hole disappear and become disorder. Can you tell me how to solve this problem?
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Dear you:
I have built up a box with a hole in the middle of the box.Tihs box is made up of two parts, the upper is the SiC and the lower is the Cu.
Firsty, i build up a complete box, then i dump the dumpfile after the equilibration.Secondly, I delete a group in the middle of the box and output the datafile.Finally, I read the datafile via lammps . However, when i run, thi hole disappear and become disorder. Can you tell me how to solve this problem?
what exactly is the problem?
the simulation just does what your
potential and other simulation parameters
tell it to do. apparently your system “wants”
to be liquid around where you have the hole.
it is up to you to identify and understand
why this is happening. perhaps that is the
correct behavior for that kind of operation even.
axel.