[CP2K:3771] Remove fixed_atoms after few steps during optimization

[Teodoro Laino]

Can you tell us where did you find written that the section "CONSTRAINT" is accepting a section parameter? (i.e. the OFF reported below)
the atoms are fixed because you enforce them to be fixed.

Teo


On Mar 28, 2012, at 10:56 AM, Sandeep Kumar Reddy wrote:
> [..]
>   &CONSTRAINT OFF 
>     &FIXED_ATOMS
>       LIST 1
>     &END FIXED_ATOMS
>   &END CONSTRAINT
> [..]

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