Re: [AMBER] Resp charge

From: case <>
Date: Sun, 19 Jun 2011 10:22:15 -0400

On Sat, Jun 18, 2011, Takeshi Baba wrote:
> I can't generate prepi file with resp charge and i get this message
> error =
> ""No atom read in, the gaussian output file may not complete, exit""

Antechamber is looking for the phrase "Standard orientation" in the output,
which does not exist in your runs. I'm no Gaussian expert, but I note that
"iop(6/42=6)" is not present in your route card.

Go to $AMBERHOME/AmberTools/test/antechamber/nad to see examples of input
(gau) and output (gout) files. Try to have your files match those. Note that
you can ask antechamber to prepare the Gaussian input file, using the gcrt
output format.

[Aside: users of Gaussian 09 Rev. B should be sure to visit the AmberTools
bugfix page to get a Gaussian patch. This doesn't seem to be a problem with
the current email.]

...good luck...dac

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Received on Sun Jun 19 2011 - 07:30:04 PDT
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