NVT equilibration of a fixed carbon nanotubes results in lost atoms.

Hello Axel,

Thanks for your help. As you pointed out the time step was the problem.
I overlooked the unit that it was 0.001 ps for metal thinking it was in fs.

As per the number of steps it should be 20000 (typo)

As far as the minimization and dynamics is considered, i should have been clear.
I want to pull a tube from a group of CNT’s and measure the load transfer. I want to
minimize the structure first and then dynamically pull out the tube.
As i am new to LAMMPS i am just trying to equilibrate and minimize to compare
both dynamics and mechanics results to the energy values from my previous code.

I appreciate your help and input.

Thanks,
Rohit.