colvarsTrajFrequency 1000 colvarsRestartFrequency 1000 colvar { name COMDistance width 0.1 lowerboundary -5.0 upperboundary 12.0 lowerwallconstant 100.0 upperwallconstant 100.0 distanceZ { main { atomnumbers { 3 4 5 8 10 12 13 14 15 16 18 20 22 24 } } ref { atomnumbers { 159 180 201 222 243 264 } } axis ( 0.0, 0.0, 1.0 ) } } abf { colvars COMDistance fullSamples 1000 }