AMBER Archive (2004)

Subject: Re: AMBER: Antechamber compilation error

From: David A. Case (case_at_scripps.edu)
Date: Mon Apr 05 2004 - 12:12:05 CDT

On Mon, Apr 05, 2004, Arvind wrote:
>
> make test.antechamber
> cd antechamber/tp; ./Run.tp
>
> Running: /usr/local/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP ANTECHAMBER_MUL.OUT
> Unable to find mopac charges in ANTECHAMBER_MUL.OUT
> Program error
> make: *** [test.antechamber] Error 1
>

You need to figure out your your version of mopac works, that is, how you
can run it correctly by hand (using ANTECHAMBER_MUL.MOP as input). Then
edit /usr/local/amber7/exe/mopac.sh to do what is required. Different
versions of mopac look for the input files in different places; your error
message stating that mopac could not find the input file suggests that
mopac.sh is not doing the correct thing.

...good luck...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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