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