When we restart job using restart data from previous job, can we use group IDs which were defined in previously, without defining group IDs again?
If it is default and additional treatment is required, what should I do for it?
Incidentally asking, is there a way to make group ID using every atom IDs which are intended to be included (it seems that it is not available in the manual)?
Best regards,
Luke
The doc page for read_restart exlains this - yes,
group names and atom assignments to groups are retained.
Incidentally asking, is there a way to make group ID using every atom IDs
which are intended to be included (it seems that it is not available in the
manual)?
Not sure what you are asking here. You can use a command like
group foo id 1 10 50 100 ...
Or you can use multiple group commands and add atoms to an existing
group.
Steve
2010/7/1 JhonY. I. <[email protected]...>: