I think you should make sure your job ran to completion with no error messages at the end of your gaussian job. Check the version your using for specific info and also make sure you use the gaussian keywords specific for generating the esp charges via the Kollman method.
Here is a sample of my keyword line, and I hope this helps.
#P hf/6-31++G** scf=tight opt Pop=MK IOp(6/33=2, 6/41=10, 6/42=17)
It is essential that these keywords, barring the level of theory and basis set, are included for several reasons. You may cross-reference to the gaussian03 manual online under the "Keywords" hyperlink. Lastly, make sure your antechamber script is syntax correct. Mine is as follows.
antechamber -i glycine_hfopt_sc_resp.out -fi gout -o gly_s1s2.prep -fo prepi -c resp -nc -1
Cheers,
Jason Ford-Green
---------- Original Message ----------------------------------
From: ". .." <m.o.m.live.fr>
Reply-To: AMBER Mailing List <amber.ambermd.org>
Date: Fri, 6 Feb 2009 17:34:12 +0000
>
>HI,
>
>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""
>
>when i do:
>
>antechamber -i molecule.log -fi gout -o prepi -fo molecule.prepi -c esp
>
>
>But When i edit molecule.log with gaussview i can see the esp charge, why??
>Thanks
>
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Received on Sun Feb 08 2009 - 01:13:12 PST
