[MMTK] running MMTK test script on windows XP

Javier Sacristan jsacristan at engr.psu.edu
Thu Mar 30 00:10:29 CEST 2006

Hi, I am sorry but I was on a conference during the last week. Anyway,
thanks Peter and Rocco for your quick responses. The problem was that
the  datafile (argon.gz) was in a different directory than the script

So, actually MMTK is working fine, the next step is check "or do it
again"  the installation of nMoldyn to analyze my data from DLPOLY

On the Pythonwin window I write:

>>> import nMoldyn
>>> nMoldyn
<module 'nMoldyn' from

I think that's means is already installed but I do not know how to run
the xnMoldyn, the graphical user interface recommended in the nMoldyn

So, some advice will be appreciated.



-----Original Message-----
From: Peter [mailto:peter at maubp.freeserve.co.uk] 
Sent: Wednesday, March 15, 2006 3:54 AM
To: Javier Sacristan; mmtk at python.net
Subject: Re: [MMTK] running MMTK test script on windows XP

javier sacristan wrote:
> Recently Konrad kindly suggest me that one of the problems that I am 
> having running MMTK on my windows machine is that "Apparently you are 
> running the script with a current directory that is not the one in
> the script resides."
> I have pasted the error and  Konrad's answer as well.
> So if any Windows expert has any idea that would be welcomed.

Have you put your datafile 'argon.conf.gz' in the same directory as the 
python test script?

If you run your script from the command line then simply change to this 
directory and run 'python myexample.py' or something like that.

Depending on how you setup python, it may not be on the path, so you 
might need to do 'c:\python23\python.exe argon.py' instead.

Within IDLE I'm not sure off hand how to change the working directory, 
but would have a look at the 'os' library and 'os.path' for clues.

Try the following to see where you are:

import os
print os.path.abspath(".")
print os.listdir(".")

Then use os.chdir to change the current directory.

Another easy answer is to use a fully specified filename:


conf_file = TextFile('c:\\python examples\\MMTK\\argon.conf.gz')

not just the following which assumes 'argon.conf.gz' is in the current 
working directory:

conf_file = TextFile('argon.conf.gz')


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