Re: [AMBER] Mol2 to generatee prepc and frcmod fo using Antechamer

From: David A Case <>
Date: Sat, 16 May 2020 08:05:07 -0400

On Fri, May 15, 2020, Lod King wrote:
>I got the following error when using $antechamber to generate prepc and
>frcmod files

It would be important to see the input file you used. Is it in pdb or
mol2 format (or something else)? If in pdb format, does it have CONECT
records? Are you sure those are correct?

>Weird atomic valence (3) for atom (ID: 7, Name: O).
> Please check atomic connectivity.
>how should I fix it? my O is connected by two Ns in a five-member ring, btw.

If you are convinced that everything is OK, and all hydrogens are
present, you can add '-dr no' to turn off the acdoctor checks. But then
be specially careful to check the output to make sure it makes sense.


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Received on Sat May 16 2020 - 05:30:02 PDT
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