# collective variable example: monitor distances colvarsTrajFrequency 1 # output every 10 steps #colvarsRestartFrequency 1000 colvar { name smdpulling width 1.0 distanceZ { axis (0.0, 1.0, 0.0) main { atomNumbers 1 } ref { dummyAtom (13.0, 1.0, 13.0) } } } harmonic { name smd colvars smdpulling centers 8.55 targetCenters 1.0 targetNumSteps 1000 forceConstant 5000.0 }