Closed drroe closed 6 months ago
6.25.1.
Adds new keywords for the change and set commands.
change
set
change {mass|charge} by <offset> Will allow charges/masses to be incremented by a given offset.
change {mass|charge} by <offset>
set <VAR> = {charge|mass} inmask <mask> Will allow variable <VAR> to be set to the total charge/mass of atoms selected by a mask.
set <VAR> = {charge|mass} inmask <mask>
<VAR>
6.25.1.
Adds new keywords for the
changeandsetcommands.change {mass|charge} by <offset>Will allow charges/masses to be incremented by a given offset.set <VAR> = {charge|mass} inmask <mask>Will allow variable<VAR>to be set to the total charge/mass of atoms selected by a mask.