[CP2K:1117] Re: Fixing all internal motion

Teodoro Laino teodor... at gmail.com
Tue Jun 17 17:01:41 UTC 2008

Hi Axel,

you're absolutely right. That would be the way to go and at the  
moment is not implemented in cp2k.


On 17 Jun 2008, at 15:58, Axel wrote:

> to the best of my knowledge, this is not (yet) possible in cp2k,
> but i may be wrong (there is a _lot_ of code in cp2k...)
> using a large number of individual constraints will become
> quite time consuming and may get you into convergence problems.

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