About the settings of the COLVAR in cp2k

Kevin Chiang max198... at gmail.com
Tue Mar 6 10:20:31 UTC 2018


Dear all:

I'm a cp2k user that wants to use this program to perform enhanced sampling 
techniques for some reaction paths.
As I read the manual, I found that the COLVAR of the system can be set as 
the reaction path via the keyword "REACTION_PATH"
Nevertheless, I still cannot get it after reading the texts in the manual. 
Could anyone teach me how to use this command? I want to know not only the 
specification of the COLVAR but also the way to set up the constraints (and 
restraints). 
Thank you for the help.

Kevin
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