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Next: Atom selection keywords Up: Collective Variables Interface (Colvars) Previous: Statistical analysis   Contents   Index

Selecting atoms

To define collective variables, atoms are usually selected as groups. Each group is defined using an identifier that is unique in the context of the specific colvar component (e.g. for a distance component, the two groups are group1 and group2). The identifier is followed by a brace-delimited block containing selection keywords and other parameters, including an optional name: