Re: [AMBER] Error in using pdb4amber command

From: David A Case <>
Date: Thu, 24 May 2018 07:49:10 -0400

On Thu, May 24, 2018, senal dinuka wrote:

> I am using Amber 16 along with Amber Tools 18 version. I was able to
> successfully perform pdb4amber command on original crystal structure
> (1GQR). But after protonation via H++ server and resubmitting for pdb4amber
> following error occurs.

Can you send the pdb file (after H++) that is giving the problem?
pdb4amber (and the parmed code it is based on) can be rather particular
about wanting a correct PDB format. It might also be some problem
in our codes that is exposed by having H++ create the input.

In either case, we need an example to try to reproduce the problem.


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Received on Thu May 24 2018 - 05:00:07 PDT
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