diff --git a/examples/peptide/in.peptide b/examples/peptide/in.peptide index 1d4636adb7..6b46439203 100644 --- a/examples/peptide/in.peptide +++ b/examples/peptide/in.peptide @@ -25,7 +25,9 @@ fix 2 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31 group peptide type <= 12 dump 1 peptide atom 10 dump.peptide -dump 2 peptide bond 300 dump.bond + +compute bnd all property/local btype batom1 batom2 +dump 2 peptide local 300 dump.bond index c_bnd[1] c_bnd[2] c_bnd[3] run 300 diff --git a/examples/pour/in.pour b/examples/pour/in.pour index 14fc178a3e..3d29938cf1 100644 --- a/examples/pour/in.pour +++ b/examples/pour/in.pour @@ -3,6 +3,7 @@ atom_style granular boundary p p fm newton off +communicate single vel yes region reg block -10 10 -10 10 -0.5 16 units box create_box 1 reg diff --git a/examples/pour/in.pour.2d b/examples/pour/in.pour.2d index 3453ffcb8c..3be3af2fe4 100644 --- a/examples/pour/in.pour.2d +++ b/examples/pour/in.pour.2d @@ -4,6 +4,7 @@ dimension 2 atom_style granular boundary f fm p newton off +communicate single vel yes region reg block 0 100 0 50 -0.5 0.5 units box create_box 1 reg