Thanks for your reply.
It works for me.
On Mon, Feb 4, 2013 at 5:34 PM, Sören Wacker <swacker.gwdg.de> wrote:
> Hi,
>
> I had the same issue and posted a message some days ago.
> I used an input file that worked correctly with the previous
> espgen/antechamber version from the Ambertools11.
> With the Ambertools12 the error message as shown below appears.
>
> best
> Sören
>
>
> On 02/04/13 12:59, Tomasz Borowski wrote:
> > Hello,
> >
> > I had a similar problem with G09 rev A.02.
> >
> > The iop(6/50=1) works for G09 rev C.01, i.e. you get
> > a *gesp file with the data for antechamber.
> >
> > hope it helps,
> > Tomasz
> >
> >
> >
> >
> > 2013/2/4 HIMANSHU JOSHI <himanshuphy87.gmail.com>
> >
> >> Hi friends,
> >>
> >> I am trying to get resp charge to study a non standard
> >> residue. After optimizing the structure in Gaussian, antechamber is
> >> unable to proceed for prep file with following error on running the
> >> command.
> >>
> >>
> >> *antechamber -i sin-for-resp.log -fi gout -o sin.prepin -fo prepi -c
> resp
> >> -s 2 -rn SIN -at amber -nc -1*
> >>
> >> *espgen cannot deal with Gaussian 09 log file, please generate Gaussian
> 09
> >> ESP file using iop(6/50=1) and rerun espgen*
> >> *Error: cannot run "/home/himanshu/amber12/bin/espgen -o
> ANTECHAMBER.ESP -i
> >> sin-for-resp.log" in resp() of charge.c properly, exit*
> >>
> >>
> >> Even I gave the flag iop(6/50=1) in gaussian input file, its not
> working.
> >>
> >>
> >>
> >> Kindly suggest me the way to overcome it.
> >> P>S> Fabricio I saw your post on the similar issue, did you figure out
> that
> >> ? If yes, please suggest for my case.
> >>
> >> --
> >> *With Regards,
> >> HIMANSHU JOSHI
> >> Graduate Scholar, Center for Condense Matter Theory
> >> Department of Physics IISc.,Bangalore India 560012*
> >> ॐ सर्वे भवन्तु सुखिनः सर्वे सन्तु निरामयः।
> >> सर्वे भद्रणिपश्यन्तु मा कश्चिद्दुःख भाग भवेत्
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> --
> Sören Wacker
> Max Planck Institute for Biophysical Chemistry
> Theoretical and Computational Biophysics Department, 105 00
> Computational Biomolecular Dynamics Group, 105 10
> Am Fassberg 11
> 37077 Goettingen, Germany
> Tel.: ++49 551 201 2313
> Fax: ++49 551 201 2302
> Email: swacker.gwdg.de
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
*With Regards,
HIMANSHU JOSHI
Graduate Scholar, Center for Condense Matter Theory
Department of Physics IISc.,Bangalore India 560012*
ॐ सर्वे भवन्तु सुखिनः सर्वे सन्तु निरामयः।
सर्वे भद्रणिपश्यन्तु मा कश्चिद्दुःख भाग भवेत्॥
<http://www.rediffmail.com/cgi-bin/red.cgi?red=http%3A%2F%2Fsigads%2Erediff%2Ecom%2FRealMedia%2Fads%2Fclick%5Fnx%2Eads%2Fwww%2Erediffmail%2Ecom%2Fsignatureline%2Ehtm%40Middle%3F&isImage=0&BlockImage=0&rediffng=0>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 04 2013 - 22:00:03 PST
