Defining colvars based on a region

From: Bob Faith (bobfaith1396_at_gmail.com)
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?

Best,
Bob

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:10 CST