diff --git a/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt b/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt index f2dc506dde..3982da799d 100644 --- a/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt +++ b/examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt @@ -36,7 +36,7 @@ fix myrxns all bond/react stabilization yes statted_grp .03 & react rxn2 all 1 0.0 5.0 mol3 mol4 rxn1_stp2_map # stable at 800K -fix 1 statted_grp nvt temp 800 800 100 +fix 1 statted_grp_REACT nvt temp 800 800 100 # in order to customize behavior of reacting atoms, # you can use the internally created 'bond_react_MASTER_group', like so: diff --git a/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon b/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon index 1f7e9c42b7..73cb2eb270 100644 --- a/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon +++ b/examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon @@ -36,7 +36,7 @@ fix myrxns all bond/react stabilization yes statted_grp .03 & react rxn1 all 1 0.0 2.9 mol1 mol2 rxn1_stp1_map & react rxn2 all 1 0.0 5.0 mol3 mol4 rxn1_stp2_map -fix 1 statted_grp nvt temp 300 300 100 +fix 1 statted_grp_REACT nvt temp 300 300 100 fix 4 bond_react_MASTER_group temp/rescale 1 300 300 10 1