Re: [AMBER] Unable to find mopac charges in mopac.out

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Thu, 1 Sep 2016 19:01:23 +0100

On Thu, 1 Sep 2016 23:25:58 +0530
Sneha Rai <rai.sneha51.gmail.com> wrote:

> Hi,
>
> Thank you for the help. I tried this syntax also but still same error
> exist.
> What may be the possible solution?

Is there any particular reason why you need the charges from Mopac?
>From your directory names it seems that you may be using an ancient
version (10?) and Mopac has not been the default for probably a very
long time too. I think you should consider upgrading to AmberTools 16.


Cheers,
Hannes.

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Received on Thu Sep 01 2016 - 11:30:02 PDT
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