colvarsTrajFrequency 100 colvar { name molecular_position distance { group1 { atomNumbers 9 } group2 { dummyAtom (0.0, 0.0, 0.0) disableForces on } } } harmonic { name bias_molecular_position colvars molecular_position centers 0.0 forceConstant 5.0 } colvar { name molecular_orientation distanceDir { group1 { atomNumbers 9 } group2 { atomNumbers 11 } } } harmonic { name bias_molecular_orientation colvars molecular_orientation centers (0.0, 1.0, 0.0) forceConstant 5.0 } colvar { name molecular_rotation distanceZ { main { atomNumbers 10 } ref { atomNumbers 9 } axis (1.0, 0.0, 0.0) } } harmonic { name bias_molecular_rotation colvars molecular_rotation centers 0.0 forceConstant 5.0 }