
RDC ...
LABEL=rdca
SCALE=0.001
GYROM=-72.5388
ATOMS1=22,23
ATOMS2=25,27
ATOMS3=29,31
ATOMS4=33,34
... RDC

RDC ...
LABEL=rdcan
SCALE=0.001
GYROM=-72.5388
ATOMS1=22,23
ATOMS2=25,27
ATOMS3=29,31
ATOMS4=33,34
NUMERICAL_DERIVATIVES
... RDC

DUMPDERIVATIVES ARG=rdca.*,rdcan.* STRIDE=1 FILE=deriva FMT=%8.4f
PRINT ARG=rdca.* FILE=COLVAR STRIDE=1
