[AMBER] Resp charge

From: Takeshi Baba <tbaba.cheng.es.osaka-u.ac.jp>
Date: Sat, 18 Jun 2011 17:18:51 +0900

Dear Amber developers

I have a question.

I can't generate prepi file with resp charge and i get this message
error =

""No atom read in, the gaussian output file may not complete, exit""

when i do:

antechamber -i PO.log -fi gout -o a.in -fo prepi -c resp -nc 0

But When i edit molecule.log with gaussview i can see the esp charge,
why??

I think my gaussian is correct.






I know you are very busy,but any information would be helpful.

Sincerely

Takeshi Baba
----------------------------------------------------------------------------------------------------
   Takeshi Baba

  Graduate School of Life Science, University of Hyogo,
  3-2-1 Koto, Kamigori, Akoh-gun, Hyogo 678-1297, Japan
  E-mail: tbaba.cheng.es.osaka-u.ac.jp
----------------------------------------------------------------------------------------------------







_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Sat Jun 18 2011 - 01:30:03 PDT
Custom Search