[AMBER] Please how to solve the unfilled valence problem in antechamber

From: Renato Araujo <renatoacufpa.gmail.com>
Date: Wed, 25 Sep 2019 14:27:40 -0300

dear colleagues and friends

Someone, please help me resolve this error:

I am using the following command

antechamber -fi ac -i input.ac -c wc -cf input.crg

And this happening:

Welcome to antechamber 17.3: molecular input file processor.

acdoctor mode is on: check and diagnosis problems in the input file.
- Check Format for ac File -
    Status: pass
- Check Unusual Elements -
    Status: pass
- Check Open Valences -
    Status: pass
- Check Geometry -
       for those bonded
       for those not bonded
    Status: pass
- Check Weird Bonds -
/ usr / local / Chem / amber18 / bin / to_be_dispatched / antechamber:
Fatal Error!
Weird atomic valence (1) for atom (ID: 1, Name: C1).
        Possible open valence.

How to solve ?


Dr Renato Costa
AMBER mailing list
Received on Wed Sep 25 2019 - 10:30:03 PDT
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