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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Received on Mon Feb 04 2013 - 04:00:02 PST
