Re: [AMBER] Antechamber error when attempting Tutorial B5

From: David A Case <>
Date: Wed, 23 Jun 2021 11:56:48 -0400

On Wed, Jun 23, 2021, David Wright wrote:
>I am trying to run through the tutorial for Simulating the Green
>Fluorescent Protein from
>I am using Ambertools 21 installed via conda.
>When I get to section 2 and run the command (using the CRO.cif file
>downloaded from the tutorial page):
>$ antechamber -fi ccif -i CRO.cif -bk CRO -fo ac -o -c bcc -at amber
>I get the following error:
>/home/dave/anaconda3/envs/kuano/bin/wrapped_progs/antechamber: Fatal Error!
>Residue (CRO) has a type of LINKING.

Looks like the tutorial has become out of date. See what happens in you
edit the CRO.cif file and remove the "LINKING" flag.

I think this flag was not being checked back when the tutorial was
originally made. If you(we) are lucky, things may still work.

...thanks for the report....dac

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Received on Wed Jun 23 2021 - 09:00:03 PDT
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