Re: [AMBER] ESPGEN

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 22 Aug 2011 17:30:52 -0400

On Mon, Aug 22, 2011 at 5:23 PM, William Wei <william.wei.utoronto.ca>wrote:

> Hi All,
>
> I am trying to generate topological files using RESP charge. I use
> gaussian 09 with "#HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2)
> iop(6/42=6) opt" to minimize the structure. But when I use
> antechamber, I got message " Unit 10 Error on OPEN: ANTECHAMBER.ESP".
>
> Then I use espgen, I got no output, no new file generated.
>
> Could anybody help me with this?
>

See the website http://ambermd.org/bugfixesat.html, the section at the very
top. Does this describe what you're seeing?

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 22 2011 - 15:00:03 PDT
Custom Search