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 - 06:30:08 PDT
