[lammps-users] Modify the simulation box

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1

Hi,

I have been trying to add the tilt factor by modifying the simulation box from the restart file.

I first used the NPT ensemble to equilibrate the structure, and I'd like to add the tilt factor so that I can apply the shear strain rate to the structure.

Is there anyone to know how to do this?

Thank you,
Kyoungmin Min

2

Use the change_box command, then fix deform
or displace_box.

Steve