diff --git a/doc/src/fix_bond_react.rst b/doc/src/fix_bond_react.rst index 85683f0ddd..c557d2617d 100644 --- a/doc/src/fix_bond_react.rst +++ b/doc/src/fix_bond_react.rst @@ -404,6 +404,12 @@ atoms are present. The velocity of each created atom is initialized in a random direction with a magnitude calculated from the instantaneous temperature of the reaction site. +.. note:: + + The 'Coords' section must be included in the post-reaction template + when creating atoms because these coordinates are used to determine + where new atoms are inserted. + The handedness of atoms that are chiral centers can be enforced by listing their IDs in the ChiralIDs section. A chiral atom must be bonded to four atoms with mutually different atom types. This feature