Hi,
I found this link helpful for getting gesp files for antechamber.
http://www.ub.edu/cbdd/?q=content/gaussian-09-and-antechamber12
Just replace the functional and basis set with what you want.
Andrew
On Thu, Mar 23, 2017 at 19:02 Elvis Martis <elvis.martis.bcp.edu.in> wrote:
> HI
> There are two posts in the past on this same issue.
> http://archive.ambermd.org/201106/0503.html
> http://structbio.vanderbilt.edu/archives/amber-archive/2009/0566.php
> Please confirm if chelpg charges are compatible with antechamber.
> And have you tried with pop=MK instead of pop (chelpg, regular)??
>
> Best Regards
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry)
> at Bombay College of Pharmacy
>
>
> A Kalina, Santacruz [E], Mumbai 400098, INDIA
> W www.elvismartis.in
> Skype. adrian_elvis12
>
>
>
>
> -----Original Message-----
> From: luca maggi [mailto:maggi_luca.hotmail.it]
> Sent: Thursday, March 23, 2017 2:58 PM
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: Re: [AMBER] Antechamber Error
>
> Hi Elvis
>
> Thanks you for your suggestion, Unfortunately using
> IOp(6/33=1,6/42=10,4/41=20,6/50=1) I have the same problem!!
>
> Luca
>
>
> ________________________________
> Da: Elvis Martis <elvis.martis.bcp.edu.in>
> Inviato: giovedì 23 marzo 2017 09.58
> A: AMBER Mailing List
> Oggetto: Re: [AMBER] Antechamber Error
>
> Hi
> It is recommended that you also add this iop in addition to what you have
> used "IOp(6/50=1)" since you are using G09.
>
> Best Regards
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry)
> at Bombay College of Pharmacy
>
>
> A Kalina, Santacruz [E], Mumbai 400098, INDIA W www.elvismartis.in<
> http://www.elvismartis.in>
> Elvis A. F. Martis<http://www.elvismartis.in/>
> www.elvismartis.in
> Hello Everyone Welcome to my Website. Just Do It! Free servers
>
>
>
> Skype. adrian_elvis12
>
>
>
>
> -----Original Message-----
> From: luca maggi [mailto:maggi_luca.hotmail.it]
> Sent: Thursday, March 23, 2017 12:40 PM
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: Re: [AMBER] Antechamber Error
>
> Sorry for answering so late..
>
> I can not upload the .log gaussian file because of its size but I am
> sending you a link where you can find it.
>
> https://drive.google.com/open?id=0B65pAb-TzBOhVVUyOVFpWEd0VDA
>
> Thanks
>
> Luca
>
>
> ________________________________
> Da: Elvis Martis <elvis.martis.bcp.edu.in>
> Inviato: martedì 21 marzo 2017 08.15
> A: AMBER Mailing List
> Oggetto: Re: [AMBER] Antechamber Error
>
> Can you attach our Gaussian log file ?
>
> Best Regards
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry)
> at Bombay College of Pharmacy
>
>
> A Kalina, Santacruz [E], Mumbai 400098, INDIA W www.elvismartis.in<
> http://www.elvismartis.in>
> Elvis A. F. Martis<http://www.elvismartis.in/>
> www.elvismartis.in<http://www.elvismartis.in>
> Hello Everyone Welcome to my Website. Just Do It! Free servers
>
>
>
> Skype. adrian_elvis12
>
>
>
>
> -----Original Message-----
> From: luca maggi [mailto:maggi_luca.hotmail.it]
> Sent: Tuesday, March 21, 2017 12:27 PM
> To: amber.ambermd.org
> Subject: [AMBER] Antechamber Error
>
> Dear Amber Users,
> I am trying to calculate the RESP charges of a small molecule using
> antechamber. Before using antechamber I minimised this molecule using
> Gaussian09 and then I have calculted with the same software a grid in order
> calculate the charges with Antechamber, but I got this error:
>
> "No atom read in, the gaussian output file may not complete, exit".
>
> The strange thing is that I made the same procedure with different
> molecules and everything went well, namely I calculated the charges.I tried
> to change the grid in the gaussian input file, but it doesn't work.
> Somebody could help me?
>
>
> Best Regards
>
> Luca maggi
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