AMBER Archive (2003)

Subject: Re: Antechamber

From: Shweta Sikri (ssikri_at_wesleyan.edu)
Date: Thu Jul 03 2003 - 12:18:58 CDT

Hi,
Thanks for response, I have already changed my mopac.sh file. I deleted '<'
and '>' from the file which were around $1. Actually the problem is that
when I use the command antechamber -i input -fi mol2 -o output -fo mol2 -c
bcc, then it should generate a 'output' file of mol2 format which it never
generates. It just generates ANTECHAMBER_MUL.MOP and ANTECHAMBER_MUL.OUT
files. That's why I want to know the proper linking of mopac7 with Amber7.
Thanks,
Shweta

'At 09:59 AM 7/3/2003 -0700, you wrote:
>On Thu, Jul 03, 2003, Shweta Sikri wrote:
>
> > I want to use antechamber(Amber7), I have installed mopac7, but I don't
> > know how to link mopac7 with Amber7. If somebody can tell then I would be
> > highly obliged.
>
>There should be a "mopac.sh" file in $AMBERHOME/exe. You need to edit this
>to point to your version of mopac. See p. 8 of the Users' Manual.
>
>..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
>==================================================================