I have a quick question about "group" command with "<=".
My input file has
group up id <= 2731
However, this group "up" includes every atom (which is in my case 2940
atoms) though the rest of atom IDs is definitely larger than 2731...
I supposed this should make the group which has atoms from #1 to #2731
but actually not....
Does anybody have same problem before?
Thank you very much.
Any help would be greatly appreciated.
Restart files store group names and atom assignments.
So if you use group commands after reading a restart file,
you are adding atoms to existing groups.