Antwort: [CP2K:3340] ERROR in topology_generate_molecule

Papy bovi... at gmail.com
Thu Jun 30 16:14:57 CEST 2011


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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