colvarsTrajFrequency 5000 colvar { name swarms_angle_phi dihedral { group1 { atomNumbers 5 } group2 { atomNumbers 7 } group3 { atomNumbers 9 } group4 { atomNumbers 15 } } } harmonic { name bias_swarms_angle_phi colvars swarms_angle_phi centers -161.7 forceConstant 0.0 } colvar { name swarms_angle_psi dihedral { group1 { atomNumbers 7 } group2 { atomNumbers 9 } group3 { atomNumbers 15 } group4 { atomNumbers 17 } } } harmonic { name bias_swarms_angle_psi colvars swarms_angle_psi centers 175.1 forceConstant 0.00 } colvar { name swarms_angle_theta dihedral { group1 { atomNumbers 6 } group2 { atomNumbers 5 } group3 { atomNumbers 7 } group4 { atomNumbers 9 } } } harmonic { name bias_swarms_angle_theta colvars swarms_angle_theta centers -13.5 forceConstant 0.00 } colvar { name swarms_angle_zeta dihedral { group1 { atomNumbers 16 } group2 { atomNumbers 15 } group3 { atomNumbers 17 } group4 { atomNumbers 19 } } } harmonic { name bias_swarms_angle_zeta colvars swarms_angle_zeta centers 4.0 forceConstant 0.00 } colvar { name molecular_position distance { group1 { atomNumbers 9 } group2 { dummyAtom (0.0, 0.0, 0.0) } } } harmonic { name bias_molecular_position colvars molecular_position centers 0.0 forceConstant 100.0 } 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 100.0 } 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 100.0 }