# load the pdb to better select torsions later
MOLINFO STRUCTURE=reference.pdb
# Compute the backbone dihedral angle phi, defined by atoms C-N-CA-C
phi: TORSION ATOMS=@phi-2
# Compute the backbone dihedral angle psi, defined by atoms N-CA-C-N
psi: TORSION ATOMS=@psi-2

# Just compute the collective variables 
PRINT ARG=phi,psi FILE=COLVAR_DEMUX
