diff --git a/examples/ellipse/in.ellipse.gayberne b/examples/ellipse/in.ellipse.gayberne index 7a768255de..61e38c015d 100644 --- a/examples/ellipse/in.ellipse.gayberne +++ b/examples/ellipse/in.ellipse.gayberne @@ -18,6 +18,10 @@ shape 1 1 1 1 shape 2 3 1 1 compute rot all temp/asphere +group spheroid type 1 +variable dof equal count(spheroid)+2 +compute_modify rot extra ${dof} + velocity all create 2.4 87287 loop geom pair_style gayberne 1.0 3.0 1.0 4.0 @@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.gayberne & fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 2 all enforce2d +compute_modify 1_temp extra ${dof} + # equilibrate to shrink box around dilute system run 2000 diff --git a/examples/ellipse/in.ellipse.resquared b/examples/ellipse/in.ellipse.resquared index 3c7067ec62..2bd270a88a 100644 --- a/examples/ellipse/in.ellipse.resquared +++ b/examples/ellipse/in.ellipse.resquared @@ -18,6 +18,10 @@ shape 1 1 1 1 shape 2 3 1 1 compute rot all temp/asphere +group spheroid type 1 +variable dof equal count(spheroid)+2 +compute_modify rot extra ${dof} + velocity all create 2.4 87287 loop geom #pair_style gayberne 1.0 3.0 1.0 4.0 @@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.resquared & fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 2 all enforce2d +compute_modify 1_temp extra ${dof} + # equilibrate to shrink box around dilute system run 2000