COORDINATIONNUMBER SPECIES=1-6 SWITCH={EXP D_0=0.2 R_0=0.1} LABEL=cc
aa: CONTACT_MATRIX ATOMS=cc SWITCH={EXP D_0=0.2 R_0=0.1 D_MAX=0.66} 
DFSCLUSTERING MATRIX=aa LABEL=dfs

CLUSTER_PROPERTIES CLUSTERS=dfs CLUSTER=1 SUM LABEL=ss1
CLUSTER_PROPERTIES CLUSTERS=dfs CLUSTER=2 SUM LABEL=ss2
CLUSTER_PROPERTIES CLUSTERS=dfs CLUSTER=3 SUM LABEL=ss3
PRINT ARG=ss1.*,ss2.*,ss3.* FILE=colvar FMT=%8.4f

DUMPDERIVATIVES ARG=ss1.* FILE=deriv FMT=%8.4f
