qmmm: Failed to create geometry 0

From NWChem

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Clicked A Few Times
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Hello, everyone

I made a mistake for neb calculation , here is where the program stopped:


full_geometry
geometry
driverinitial
------------------------------------------------------------------------
qmmm: Failed to create geometry 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
41: task qmmm dft neb
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error related to the specified geometry
------------------------------------------------------------------------


I think this is because the initial geometry I provided is unreasonable, but I don't know that in details
. Can you give me a suggestion? Thank you very much.

Just Got Here
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Hi Dandelion,

I got the same problem. Could you solve it?

Just Got Here
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Posts 2
Give us your full input. I have managed to get neb to work with qm/mm.


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