I want an extracted sample (a cut away portion of a specific dimension) from the previously run simulation for further testing. Which command should I employ for this purpose?
This is usually best done with an external tool.
Otherwise, you can load the corresponding datafile/restart, possibly update the positions to those of the desired frame with read_dump and then delete everything that you don’t want to keep.
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I tried this code to extract al-si-mg sample from the previously run simulation but the resulting sample appears markedly different (appearing clustered) from the original set up
read_restart restart3
pair_style meam
pair_coeff * * library.meam AlS SiS MgS CuS FeS AlSiMgCuFe.meam AlS SiS MgS FeS
run 0
group delete_fe type 4
delete_atoms group delete_fe
change_box all x final 70 130 y final 30 80 z final 20 40 boundary p p p units box
region tensile block 70 130 30 80 20 40 units box
group tensile region tensile
group all_delete subtract all tensile
delete_atoms group all_delete
Please carefully check what this does to your system. You probably don’t want to apply this to the group “all” but rather an empty group.
The data is the data as it is read from the restart. If the structure has changed, then it has already changed during previous runs. Your input does not implement the second part of my suggestion.
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