|From:||"S. Ramaswami" <rsubrah@...1509...>|
|Date:||Thu, 13 Jul 2017 18:59:42 +0000|
I have an equilibrated polyurea model with periodic boundary conditions applied (thanks to valuable advice earlier), and intend to remove the periodic boundary conditions along one direction before simulating a shockwave through the model. Is there a way to use LAMMPS to "unwrap" the model in that direction when changing the boundary conditions? I realize I should equilibrate the model again before simulating the shockwave.