Removing atoms from a diamond matrix

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1

Respected sir,

I would like to know if there is any way to remove a group of atoms from a diamond matrix so that I can insert a carbon nanotube in it. I am not able to do it. Can anyone help me with this?

Thanks
Lavanya

2

Respected sir,

I would like to know if there is any way to remove a group of atoms from a diamond matrix so that I can insert a carbon nanotube in it. I am not able to do it. Can anyone help me with this?

option 1: define a cylinder region of the dimensions of your nanotube and delete the diamond atoms with the delete_atoms command

option 2: load your nanotube and your diamond system on top of each other. and the use the delete_atoms command with the overlap option and suitable cutoff.

option 3: use an external program (e.g. VMD with scripting, there is an example for merging to data files with overlap removal in the TopoTools homepage).

option 4: be creative and figure out another way.

axel.

3

Thanks, I’ll check it out.