Distance colvar using Centre-of-Mass

[Marcella Iannuzzi]

Hi,

you can define a point as geometric center of a subset of atoms.
regards
Marcella


On Tuesday, January 31, 2017 at 5:08:02 PM UTC+1, cjor wrote:
>
> Hello,
>
> Is there a way to code a centre-of-mass point in CP2K.
>
>
> I want to use a distance colvar, *not *a distance to a plane etc.
>
>
> ?
>
>
>
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