Re: AMBER: error in antechamber

From: David A. Case <>
Date: Wed, 7 Apr 2004 08:27:43 -0700

On Wed, Apr 07, 2004, Ilyas Yildirim wrote:
> I had the same problem. I have tried to modify Mopac 7 to antechamber in
> order to get a result. The problem lies in the file as you might
> have realized. Before that, I suggest you to test antechamber. And also
> look at the following post, which helped me to run the test for
> antechamber.
> Here, it is describing you what to do in order to modify antechamber to
> use mopac 7. (I am assuming the same thing is true for the other versions
> of mopac)

It is _not_ safe to assume that all versions of mopac have the same input
files. The reason for having a file in the first place is to
(try to) allow for different ways mopac can be called. The original poster's
problem probably is in the file, but we would need to see what
that person did in order to make any helpful suggestions.


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Apr 07 2004 - 16:53:00 PDT
Custom Search