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update example with new syntax

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Jacob Gissinger
2020-11-18 12:02:19 -05:00
parent 9b7831dc4f
commit 95c267c21b
1 changed files with 1 additions and 1 deletions
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examples/USER/reaction/create_atoms_polystyrene/infromdata.class2
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@ -32,7 +32,7 @@ molecule mol4 chain_plus_styrene_reacted.data_template
fix rxn1 all bond/react stabilization yes statted_grp .03 &
react rxn2 all 1 0 3.0 mol3 mol4 chain_plus_styrene_map_create_atoms &
modify_create create_fit stabilize_steps 100 max_rxn 50
modify_create fit create_fit near 2.0 stabilize_steps 100 max_rxn 50
fix 1 statted_grp_REACT nvt temp $T $T 100 #iso 1 1 1000