diff --git a/doc/src/fix_bond_react.txt b/doc/src/fix_bond_react.txt index c19123c58b71730e365a180e7a787ee3ee4853e0..8d6d7c0c0685b23a00a1859be1f536282ede820e 100644 --- a/doc/src/fix_bond_react.txt +++ b/doc/src/fix_bond_react.txt @@ -24,7 +24,7 @@ common_keyword = {stabilization} :l {stabilization} values = {no} or {yes} {group-ID} {xmax} {no} = no reaction site stabilization {yes} = perform reaction site stabilization - {group-ID} = user-assigned ID of an internally-created dynamic group that excludes reacting atoms, and can be used by a subsequent time integration fix such as nvt, npt, or nve (cannot be 'all') + {group-ID} = user-assigned ID for all non-reacting atoms (group created internally) {xmax} = xmax value that is used by an internally created "nve/limit"_fix_nve_limit.html integrator :pre react = mandatory argument indicating new reaction specification :l react-ID = user-assigned name for the reaction :l @@ -100,10 +100,11 @@ typically be set to the maximum distance that non-reacting atoms move during the simulation. The group-ID set using the {stabilization} keyword should be a -previously unused group-ID. The fix bond/react command creates a -"dynamic group"_group.html of this name that excludes reacting atoms. -This dynamic group-ID should then be used by a subsequent system-wide -time integrator, as shown in the second example above. It is currently +previously unused group-ID. It cannot be specified as 'all'. The fix +bond/react command creates a "dynamic group"_group.html of this name +that includes all non-reacting atoms. This dynamic group-ID should +then be used by a subsequent system-wide time integrator such as nvt, +npt, or nve, as shown in the second example above. It is currently necessary to place the time integration command after the fix bond/react command due to the internal dynamic grouping performed by fix bond/react.