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
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>>
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--
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
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Received on Mon Feb 04 2013 - 04:30:04 PST
