Just put a command like
mass * 1.0
in your script, which will assign a dummy per-type
mass to every atom type.
As the doc page says, the 1.0 value will be ignored
in favor of the per-atom masses you also assigned.
Steve
Just put a command like
mass * 1.0
in your script, which will assign a dummy per-type
mass to every atom type.
As the doc page says, the 1.0 value will be ignored
in favor of the per-atom masses you also assigned.
Steve