Re: [AMBER] Generating the parameters for non-standard amino-acid residue

From: David A Case <>
Date: Mon, 9 Sep 2019 08:50:53 -0400

On Sat, Sep 07, 2019, RITUPARNA ROY wrote:
>I am trying to generate the parameters for a peptide, consisting of a
>non-standard amino-acid. However. I'm getting the following error:
>/home/ritu/softwares/Amber/amber18/bin/teLeap: Error! ** No torsion terms
>for CX-C-N2-CA

Unfortunately, you don't provide nearly enough information for anyone to
be able to help: how did you create the UNIT for the non-standard amino
acid? Did you run parmchk2 to get parameters? If so, does the frcmod
file you created have torsion terms like the one above (and the other
missing terms)? Did you remember to load this frcmod file in your tleap



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Received on Mon Sep 09 2019 - 06:00:05 PDT
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