CENTER ATOMS=1-20 LABEL=c1 NOPBC
DISTANCES GROUPA=c1 GROUPB=1-20 LABEL=d1
UWALLS DATA=d1 AT=2.5 KAPPA=0.2 LABEL=sr
UWALLS DATA=d1 AT=2.5 KAPPA=0.2 NUMERICAL_DERIVATIVES LABEL=srnum

PRINT ARG=sr.bias FILE=colvar FMT=%8.4f
DUMPDERIVATIVES ARG=sr.bias,srnum.bias FILE=deriv FMT=%8.4f
