FIRST;
[roja.localhost amber17_FIRST]$ source amber.sh
AMBERHOME = /home/roja/amber17_FIRST
/home/roja/amber17_FIRST/lib/python2.7/site-packages/
THEN;
[roja.localhost bin]$ /home/roja/amber17_FIRST/bin/parmed
sustiva/script.py
Traceback (most recent call last):
File "/home/roja/amber17_FIRST/bin/parmed", line 5, in <module>
from parmed.scripts import clapp
File
"/home/roja/amber17_FIRST/lib/python2.7/site-packages/parmed/__init__.py",
line 22, in <module>
from parmed import unit, utils
File
"/home/roja/amber17_FIRST/lib/python2.7/site-packages/parmed/unit/__init__.py",
line 27, in <module>
from parmed.unit.unit import Unit, is_unit
File
"/home/roja/amber17_FIRST/lib/python2.7/site-packages/parmed/unit/unit.py",
line 35, in <module>
from parmed.utils.six import iterkeys
File
"/home/roja/amber17_FIRST/lib/python2.7/site-packages/parmed/utils/__init__.py",
line 3, in <module>
from parmed.utils.pairlist import find_atom_pairs
File
"/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
On Mon, Feb 5, 2018 at 5:53 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Mon, Feb 5, 2018 at 9:14 AM, roja rahmani <roja.rhmn.gmail.com> wrote:
>
> > yes, i don't have amber.python in bin directory.
> >
>
> Then you need to just use "python". But make sure you source
> $AMBERHOME/amber.sh first, because the first error message you got
> suggested that you did not have the ParmEd python packages in the searched
> Python path:
>
> source $AMBERHOME/amber.sh
> python script.py
>
> HTH,
> Jason
>
>
> --
> Jason M. Swails
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Feb 05 2018 - 07:00:02 PST
