Antwort: [CP2K:3344] ERROR in topology_generate_molecule

Teodoro Laino teodor... at
Thu Jun 30 17:04:54 UTC 2011

Let me stress a couple of things:
1) the keyword exists! you should be able to find it. 
2) the reason for this error is not the one mentioned by you. The reason is again written in the original message: atoms in a same molecule MUST be contiguous.

In any case messages without an example (that can be used to identify and possibly fix any error) have to be considered just as spam.
Best regards,

On Jun 30, 2011, at 4:14 PM, Papy wrote:

> Ok,
> So the problem was that I add 4 bounds in my tleap file with amber.
> (For a Zinc Finger). It is impossible to add explicitely bond in the
> topology, because CP2K cannot read them.
> Thanks for your help.
> Best
> Christophe
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