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