Re: [AMBER] unable to find mopac charges

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 3 Oct 2012 07:58:18 -0400

On Wed, Oct 03, 2012, Anogna wrote:
>
> When I tried to use antechamber to generate preparation file for
> my complex protein (the complex pdb structure is attached in the email), I
> got
> an error message indicating "unable to find mopac charges in mopac.out".
> I check the test case and found no problem at all.
>
> The command i used:
> *antechamber -i lgn_h.pdb -fi pdb -o lgn.mol2 -fo mol2 -c bcc -nc 1 -j 5*
> mopac.out file is also attached with this mail.
>
> And anyone can provide some solutions for me? Thanks!!

How about just looking at what is in the mopac.out file??

...dac


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Received on Wed Oct 03 2012 - 05:00:03 PDT
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