Respected Sir,
I have made the mopc.sh as executable and now run the
antechamber program: ./antechamber -i mtx.pdb -o mtxpdb -fi pdb -fo prepin
-c bcc -s 2
It gave the following :
Running: /usr/AMBER7/amber7/exe/mopac.sh ANTECHAMBER_MUL.MOP
ANTECHAMBER_MUL.OUT $1 - Ambiguous
Unable to find mopac charges in ANTECHAMBER_MUL.OUT
Sir, I am not able to understand what shoould I give in leiu of $1 and $2.
Thanking you
Manpreet Kaur Narang
Research Scholar
Deptt.Biotechnology
Indian Institute of Roorkee (IITR)
Roorkee, 247 667 India
On Tue, 15 Oct 2002, David A. Case wrote:
> On Tue, Oct 15, 2002, Narang Manpreet Kaur wrote:
>
> > sh: /usr/AMBER7/amber7/exe/mopac.sh: cannot execute
>
> Is the above file marked as executable?
>
> > /usr/AMBER7/amber7/exe/mopac <$1 > $2
>
> Is /usr/AMBER7/amber7/exe/mopac marked as execuable? Can you run it "by
> hand"? Use the "-s" option to antechamber to see exactly what it is doing,
> then try the same things manually.
>
> ..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
> ==================================================================
>
>
Received on Tue Oct 15 2002 - 22:01:45 PDT
