Re: [AMBER] some queries

From: Ayesha Fatima <>
Date: Mon, 30 Dec 2019 22:24:29 +0800

Thank you David for the reply
I and using the windows subsystem Linux installation for Ubuntu 18.04
I already have python2. 7.17version installed but the path of amber
installation was not the home directory.
I will do it again and paste back the errors.

This skip python command line came from a website that gave the details of
installing all the computational chemistry software

I just tested the method and it worked.
But I was not convinced as python script is heavily used in analysis.

I intend to run a simulation and analyse it
Then will post back the feed back

Thank you again

On Mon, 30 Dec 2019, 10:14 pm David Case, <> wrote:

> On Mon, Dec 30, 2019, Ayesha Fatima wrote:
> > test -f /mnt/d/amber/amber18/amber.csh && source
> >/mnt/d/amber/amber18/amber.csh (csh/tcsh)
> Are you using the C-shell as your shell? (This is rather rare).
> >Error: Could not import Amber Python modules!
> >
> >also when I was doing my installation I did use the following command line
> > ./configure -noX11 --skip-python gnu
> Since you asked to skip python, it is not surprising that the test suite
> cannot import python modules. In principle, the test suite should look
> at the config.h file and figure out that is what you wanted, but that
> actually turns out to be rather complicated. Since most users will want
> Amber python at some point, the test suite assumes that it will be
> there.
> >in case i did not use --skip-python, it was informing me that Miniconda
> >will be installed however, it gave an error that it cannot do so due to
> >python error although I have python 2.7.17 installed.
> Can you give us the exact error (i.e. cut and paste what you see on the
> screen?) Installing miniconda does not use python, so it doesn't matter
> what python you might or might not already have installed. So we need
> information on why the miniconda installation failed. (It's worth
> re-trying anyway, since occasional internet hiccups can happen.)
> >is there an issue running amber?
> Looks like you are OK if you don't need any python stuff.
> ...dac
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Received on Mon Dec 30 2019 - 06:30:04 PST
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