If it’s urgent, I suggest to install ambertools binary build via conda.
Please check the website for it.
Hai
On Wed, Jul 22, 2020 at 10:59 AM David A Case <david.case.rutgers.edu>
wrote:
> 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 - 09:30:03 PDT
