t1: TORSION ATOMS=5,7,9,15
t2: TORSION ATOMS=7,9,15,17

# Test with euclidean distances 
pp: PATH TYPE=EUCLIDEAN REFERENCE=epath.pdb GPATH NOSPATH NOZPATH
#pnum: PATH TYPE=EUCLIDEAN REFERENCE=epath.pdb GPATH NOSPATH NOZPATH NUMERICAL_DERIVATIVES
DUMPDERIVATIVES ARG=pp.* FILE=ederiv FMT=%8.4f

# Test with rmsd distances 
p2: PATH REFERENCE=all.pdb GPATH NOSPATH NOZPATH  
#p2n: PATH REFERENCE=all.pdb GPATH NOSPATH NOZPATH NUMERICAL_DERIVATIVES
DUMPDERIVATIVES ARG=p2.* STRIDE=1 FILE=deriv FMT=%8.4f

# Print values of CVS
PRINT ARG=pp.*,p2.* FILE=colvar FMT=%8.4f 

