GROUP ATOMS=1,3,14,17 LABEL=d1g1
GROUP ATOMS=23,25,36,39 LABEL=d1g2

dim: DIMER ATOMS1=d1g1 ATOMS2=d1g2 Q=0.5 TEMP=300 DSIGMA=0.002

DUMPDERIVATIVES ARG=dim STRIDE=1 FILE=deriv FMT=%8.4f
PRINT ARG=dim FILE=colvar FMT=%8.4f
