Hi,
I simulate triangular lattice potential function with cooling from k_BT=1.0 to k_BT=0.01. During the simulation I group some portion of particles as a rigid body using fix rigid command for a while and want to unfix the rigid body. The script looks like
fix 1 all nvt 1.0 0.25 0.025 drag 1.0 -> cooling using fix nvt
fix 2 all enforce2d
####### Run a simulation #######
run 1000
if rigid body exists
group rigid_body1 id 10 11 24 25 26 27 40 41 42 43 56 57 58 59
group rest1 subtract all rigid_body1
fix 3 rigid_body1 rigid single
neigh_modify exclude group rigid_body1 rigid_body1
unfix 1
fix 1 rest1 nvt 0.25 0.21 0.025 drag 1.0
reset_timestep 1000
run 1000
unfix 3
unfix 1
fix 1 all nvt 0.21 0.01 0.025 drag 1.0
reset_timestep 2000
run 1000
From time step 2000, the position of particles grouped as a rigid body looks to be wrong if I view it using xmovie. How can I cool the system from 1.0 to 0.01 with a rigid body and relaxing them?
Thanks,
Lee, Sun Hwan