Loading examples/peptide/in.peptide +3 −1 Original line number Diff line number Diff line Loading @@ -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 examples/pour/in.pour +1 −0 Original line number Diff line number Diff line Loading @@ -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 Loading examples/pour/in.pour.2d +1 −0 Original line number Diff line number Diff line Loading @@ -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 Loading Loading
examples/peptide/in.peptide +3 −1 Original line number Diff line number Diff line Loading @@ -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
examples/pour/in.pour +1 −0 Original line number Diff line number Diff line Loading @@ -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 Loading
examples/pour/in.pour.2d +1 −0 Original line number Diff line number Diff line Loading @@ -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 Loading
