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
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
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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Received on Thu Mar 23 2017 - 02:00:03 PDT
