[AMBER] problem with pdb4amber

From: David A Case <david.case.rutgers.edu>
Date: Wed, 22 Jul 2020 10:59:02 -0400

On Wed, Jul 22, 2020, Huang Tao wrote:
> Thanks a lot for your kindly reply. Firstly, the underscore of "$AMBERHOME"
> is just a typo, please ignore it. Secondly, when I built Amber20 with
> run_cmake file, the only thing I change is to set CUDA flag to TURE. Please
> see it as following.
> I have tried other application related with minoconda python, such as
> parmed, and they worked fine. So I guess there might be some configuration
> problems with pdb4amber?

Thanks for the update. As I understand it, only pytraj and pdb4amber are
affected by recent changes in what miniconda installs by default. I'm hoping
that we can post a workaround here very soon, and post an update to fix the
problem as well. But I don't know the answer myself, so will have to wait for
others to chime in.


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Received on Wed Jul 22 2020 - 08:00:03 PDT
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