[lammps-users] CNT simulation

If you are using fix deform remap x, then all the atoms in
the box dilate uniformly as the box stretches.


Dear steve,
Thanks for your reply. when I use fix deform command, after a while I face with the huge amount of memory requested by LAMMPS and therefore it stops. I have tried to use box relax, but the nanotube also shrinks as the box does. Is there any way to contract the box size without changing nanotube?

Best regards

The huge amount of memory is likely b/c your box size has become unphysically

You can shrink/expand a box without changing atom positions if
you use the fix deform dilate no option.