Defining colvars based on a region

From: Bob Faith (
Date: Mon Mar 20 2017 - 19:48:00 CDT

Dear NAMD users,

Is this possible to dynamically change the atoms subjected to a collective
variable calculation during the simulation? For instance, is it possible to
assign center of mass of the atoms inside a region of space as the
collective variable since it is subjected to change at each timestep?


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