diff --git a/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion b/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion index 5c632000a7..8e8e4573d0 100644 --- a/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion +++ b/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion @@ -18,11 +18,11 @@ pair_coeff * * 1.0 1.0 pair_modify shift yes # mass * 1.0 -set type * density 1.0 set type * shape 1.0 1.0 1.0 +set type * density 1.9098593171027443 set type * quat 0 0 1 0 -fix step all nve +fix step all nve/asphere fix temp all langevin 1.0 1.0 1.0 13 angmom 3.333333333 neighbor 0.6 bin