# collective variables config file: one distance colvar { name ncdist # needed to identify the variable distance { group1 { atomNumbers 1 } group2 { atomNumbers 1231 } } } colvar { name ncdist2 # needed to identify the variable distance { group1 { atomNumbers 2 } group2 { atomNumbers 1230 } } } myatoms { # add all the C-alphas within residues 1 to 76 of segment "U" psfSegID U atomNameResidueRange CA 1-76 }