colvars: make an extended CV periodic

From: yjcoshc (
Date: Thu Apr 05 2018 - 22:42:01 CDT


I have defined a scripted function to calculate a collective variable through the Colvars module. This function uses atan2 and have a period ranged from -180.0 to 180.0. Now I enable the extended lagrangian dynamics, but the extended CV looks not periodic. Is there any way to make the extended CV periodic following the scripted function? (For example, wrap the extended CV to 175 if it is -185)


Haochuan Chen

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:58 CST