Hello
It would be good if you provide some more info about your system like how many atoms and how many molecules? Also what error message do you get from antechamber? What version of antechamber are you using and if you can get the charges for smaller systems with the same gaussian commands followed by the same antechamber command/version?
Hamed S. Hayatshahi
PhD student of Medicinal Chemistry
University of Utah
سيد حامد سادات حياتشاهي
دانشجوي دكتراي شيمي دارويي
دانشگاه يوتا
On Aug 5, 2013, at 1:03 PM, Morteza Chehel Amirani <chehelam.ualberta.ca> wrote:
> Hello
>
> I have obtained gesp file for a large system of atoms using Gaussian but
> antechamber was not able to create Resp charges for this large system. I'm
> wondering if there is any way to solve this issue? Any comment is
> appreciated.
>
> Sincerely
> *Morteza Chehel Amirani*
> PhD Candidate
> Department of Mechanical Engineering
> University of Alberta
> 6-29 Mechanical Engineering Building
> Edmonton, Alberta, T6G 2G3
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Received on Mon Aug 05 2013 - 14:00:03 PDT
