ALPHABETA ...
ATOMS1=1,3,6,10 
ATOMS2=2,4,7,9 
ATOMS3=3,5,6,7 
ATOMS4=2,1,3,4 
ATOMS5=12,14,17,19 
ATOMS6=22,24,27,29 
ATOMS7=21,20,5,9 
ATOMS8=2,4,17,9 
REFERENCE=1 
LABEL=c1
...

DUMPDERIVATIVES ARG=c1.* STRIDE=1 FILE=derivatives FMT=%8.4f

RESTRAINT ARG=c1 AT=-2 KAPPA=0 SLOPE=1
