Re: [AMBER] GAFF2 Missing parameters -

From: Melania T <melaniacompchem.gmail.com>
Date: Sun, 23 Jun 2019 13:23:01 -0400

That worked, thanks for the quick reply!


On Sun, Jun 23, 2019 at 9:12 AM David Case <david.case.rutgers.edu> wrote:

> On Sat, Jun 22, 2019, Melania T wrote:
> >
> >On many molecules I am getting many warning for missing parameters when I
> >use Antechamber and the GAFF2 FF, but I also notice that the missing
> >parameters have been given GAFF parameters. Is this normal?
> >
> >Loading Mol2 file: ./PROPYLAMINE.mol2
>
> >Could not find bond parameter for: c3 - n8
>
> ...
>
> >Loading parameters: ./PROPYLAMINE.frcmod
>
> You should load the frcmod file before loading the mol2 file--that
> will get rid of the error messages.
>
> ....dac
>
>
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Received on Sun Jun 23 2019 - 10:30:02 PDT
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