[CP2K:2797] COORDINATION in metadynamics.

Teodoro Laino teodor... at gmail.com
Thu Aug 12 10:25:52 CEST 2010


if you want to use 3 COLVARS you MUST define 3 COLVARS sections (one for 
each CV).

sst168 wrote:
> Hi energybody,
> I am doing a test with three CVs (COORDINATION) in COLVAR. The input
> as follows.
> And this section can be repeated and cannot be optional as said in the
> mannual.
> How could I implement 3 COORDINATION CVs, e.g. 1-13,  2-13, and 1-3 ?
>
>        &COORDINATION
>           ATOMS_FROM   2
>           ATOMS_TO        13
>           R_0 2.3
>        &END COORDINATION
>
>   




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