Update fix_bond_react.rst

This commit is contained in:
Jacob Gissinger
2022-10-22 00:25:00 -04:00
parent 007e6ffd95
commit 4f507b36da

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@ -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