colvarsTrajFrequency 100 colvarsRestartFrequency 100 colvar { name COMDistance width 0.1 lowerboundary 0.0 upperboundary 0.5 lowerWallConstant 100.0 upperWallConstant 100.0 distance { group1 { atomnumbers { 43 } } group2 { atomnumbers { 1 4 5 8 11 12 15 18 19 22 25 26 29 32 33 36 39 40 } } } }