AMBER Archive (2004)

Subject: Re: AMBER: error in antechamber

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 08 2004 - 09:58:42 CDT

On Thu, Apr 08, 2004, anshul_at_imtech.res.in wrote:

> i am trying to generate parameters for a molecule using antechamber. for
> this i am using MOPAC5.010.

> /usr/people/bvs/mopac5010mn/: cannot execute

It looks like "/usr/people/bvs/mopac5010mn" is a directory, not an
executable(?) Does this file have execute permissions? You need to learn
how to run your mopac manually (using ANTECHAMBER_MUL.MOP) as the input
file. Then modify (if necessary) the mopac.sh file to do the same thing.

...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
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            |    http://www.scripps.edu/case
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