Re: [AMBER] amb2gmx

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 5 Feb 2018 10:54:07 -0500

On Mon, Feb 5, 2018 at 9:58 AM, roja rahmani <roja.rhmn.gmail.com> wrote:

>
> "/home/roja/amber17_FIRST/lib/python2.7/site-packages/
> parmed/utils/pairlist.py",
> line 5, in <module>
> import numpy as np
> ImportError: No module named numpy
>

​Your Python installation lacks the necessary library numpy that ParmEd
requires to work.

These issues are solved by allowing Amber to manage its own Python packages
and installation. If these errors are not making sense to you, then you
should reinstall AmberTools 17 and choose "yes" when asked if you want
Amber to install a compatible version of python for you.

Otherwise you need to install numpy.

HTH,
Jason

-- 
Jason M. Swails
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Received on Mon Feb 05 2018 - 08:00:02 PST
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