rr: PATHMSD REFERENCE=sugar.dat LAMBDA=21573.5
aa: DISTANCE ATOMS=1,2
PRINT ...
STRIDE=1
ARG=rr.sss,rr.zzz,aa
#ARG=aa
FILE=COLVAR FMT=%12.9f
... PRINT

# old way, with WHOLEMOLECULES and NOPBC
WHOLEMOLECULES ENTITY0=1-24
tt: PATHMSD REFERENCE=sugar.dat LAMBDA=21573.5 NOPBC
PRINT ARG=tt.sss,tt.zzz,aa FILE=COLVAR2 FMT=%12.9f
