Re: [AMBER] Error: ptraj is needed for MMPBSA

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 11 Oct 2015 11:28:47 -0400

On Sun, Oct 11, 2015 at 10:30 AM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
wrote:

> and when i configure MMPBSA.py it show the following warning
>
> ayesha.ayesha-Inspiron-3521[bin] ./MMPBSA.py [
> 7:27PM]
> /usr/lib/python2.7/dist-packages/numpy/oldnumeric/__init__.py:11:
> ModuleDeprecationWarning: The oldnumeric module will be dropped in Numpy 1.9
> warnings.warn(_msg, ModuleDeprecationWarning)
> InputError: No input file was provided!
> Enter `MMPBSA.py --help` for help
> how can i resolve this problem?
>

​You didn't even try to run MMPBSA.py! You just typed the name of the
program. It couldn't find any input file, so it complained and quit. The
deprecation warning is just that -- it's a warning (probably arising from
the fact that you have ScientificPython installed, but it is not related to
MMPBSA.py).

I'm not at all sure what you expected to happen, but it behaved the way it
was supposed to.

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sun Oct 11 2015 - 08:30:04 PDT
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