#collective variables config file #globalOption value colvarsTrajFrequency 100 colvarRestartFrequency 100 analysis on colvar { name cv1 # needed to identify the variable # flags to define the behavior of 1st-colvar width 0.5 lowerBoundary 1.0 upperBoundary 9.0 # all the following terms are summed together to provide the # value of 1st-colvar distance { # configuration for the 1st colvar component group1 { atomNumbers {91 92 93} } group2 { atomNumbers {57 60} } oneSiteSystemForce yes } }