mindist

Returns 1 if some atoms are within r of each other and returns 0 otherwise.
This convention allows one to write:
  mindist -r=1.5 -s=str.out && runstruct_xxxx
to mean that the command runstruct_xxxx will run only if the minimum distance
between atoms is at least r.



avdw@alum.mit.edu Thu, Jul 30, 2026 5:11:12 PM