Hi dear all LAMMPS users
We need to keep “fix nvt…” command after equilibrium phase in the simulations.
on the other hand in MD phase we need to move a nanotube. To prevent overwriting fix commands, we decided to use “Velocity set…” instead of “fix move…”, but the problem is another “velocity set…” command was inserted previously. so the second one is overwritten on the first one, Does anyone have an idea about that?
In short term:
Equilibrium phase
velocity Group1 set 0.0 0.0 0.0 units box
fix nvt all nvt temp 300.0 300.0 $(100.0*dt)
MD phase
velocity SiNT set 0.0 2.0 0.0 units box
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Problem is: Group1 is moving in MD phase