what is problem?would you please help me?
thank you so much
On Mon, Feb 5, 2018 at 6:28 PM, roja rahmani <roja.rhmn.gmail.com> wrote:
> 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
>>
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 05 2018 - 08:00:02 PST
