[CP2K:3096] Extracting Meta-forces

Teodoro Laino teodor... at gmail.com
Sat Feb 12 13:53:07 CET 2011


Dear Alim

that's not possible. Although in the COLVAR file you have the forces acting on the COLVAR.
Refer to the input reference for any clarification.

Teo

On Feb 12, 2011, at 1:49 PM, Ali wrote:

> Dear CP2K Users,
> 
> I'd like to debug a particular CV that I am working on and was
> wondering if there is an *easy* way to print out the forces
> exclusively due to the meta-forces(not the total force on each
> particle) during a metadynamics simulation. It doesn't look like there
> is something in the manual that will allow for me to do this - but I'd
> be happy to be corrected on this.
> 
> Thanks in advance.
> 
> Ali
> 
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