Q6 SPECIES=1-64 SWITCH={RATIONAL D_0=3.0 R_0=1.5} LABEL=d1

AROUND ATOM=1 DATA=d1 SIGMA=0.2 XLOWER=-1.0 XUPPER=1.0 VMEAN LABEL=a1
#AROUND ATOM=1 DATA=d1 SIGMA=0.2 XLOWER=-1.0 XUPPER=1.0 VMEAN NUMERICAL_DERIVATIVES LABEL=a1num

PRINT ARG=a1.* FILE=colvar FMT=%8.4f
DUMPDERIVATIVES ARG=a1.* FILE=derivatives FMT=%8.4f



