[CP2K:2797] COORDINATION in metadynamics.
teodor... at gmail.com
Thu Aug 12 08:25:52 UTC 2010
if you want to use 3 COLVARS you MUST define 3 COLVARS sections (one for
> 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
> How could I implement 3 COORDINATION CVs, e.g. 1-13, 2-13, and 1-3 ?
> ATOMS_FROM 2
> ATOMS_TO 13
> R_0 2.3
> &END COORDINATION
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