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bond/react doc tweaks

This commit is contained in:
jrgissing 2018-12-03 20:12:38 -07:00
parent d14404254e
commit cf3aee9083
1 changed files with 3 additions and 3 deletions
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doc/src/fix_bond_react.txt
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@ -69,8 +69,8 @@ Initiate complex covalent bonding (topology) changes. These topology
changes will be referred to as 'reactions' throughout this
documentation. Topology changes are defined in pre- and post-reaction
molecule templates and can include creation and deletion of bonds,
angles, dihedrals, impropers, bond-types, angle-types, dihedral-types,
atom-types, or atomic charges. In addition, reaction by-products or
angles, dihedrals, impropers, bond types, angle types, dihedral types,
atom types, or atomic charges. In addition, reaction by-products or
other molecules can be identified and deleted.
Fix bond/react does not use quantum mechanical (eg. fix qmmm) or
@ -80,7 +80,7 @@ probabilistic criteria to effect predetermined topology changes in
simulations using standard force fields.
This fix was created to facilitate the dynamic creation of polymeric,
amorphous or highly-crosslinked systems. A suggested workflow for
amorphous or highly cross-linked systems. A suggested workflow for
using this fix is: 1) identify a reaction to be simulated 2) build a
molecule template of the reaction site before the reaction has
occurred 3) build a molecule template of the reaction site after the