[CP2K-user] [CP2K:19871] COLVAR for metaydnamics

bijaya pathak bijayapathak85 at gmail.com
Fri Feb 2 07:46:09 UTC 2024


Dear all, 
I'm trying to carryout a metadynamics simulation using COM-COM distance as 
my collective variable for a dimeric system. 
I have done metadynamics simulations previously, but the CV was bond 
distance. 
Can anyone please help me with defining COM-COM distance as CV for 
metadynamics ?
Thanking in advance. 

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