Specify separate hill heights (WW) for COLVARS using Metadynamics

Christopher O'Brien cjobr... at gmail.com
Wed May 20 18:16:16 UTC 2015

To all,
Is there a way to individually set the WW or NT_HILLS parameter for 
multiple COLVARS during a METADYNAMICS run?  The problem is that some of my 
COLVARS escape their local minima before the others are able to explore 
theirs fully. 

Alternatively, I would like to have CP2K report multiple COLVARS, so that 
they can be used to construct the FES using the fes.sopt program, but I 
don't want to apply a bias to all of them.  I am attempting to use a very 
small SCALE variable in order to reduce the effect of adding the hills, but 
I was hoping for a more elegant solution, such as setting the WW=0 or 
disabling spawning of hills for specific COLVARS.

Any ideas?
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