Hi,
On Mon, Oct 12, 2015 at 7:48 AM, Ayesha Kanwal
<ayesha_comsian.hotmail.com> wrote:
> IOError: Could not open ras-raf.prmtop for reading
This is the relevant error message. You need to make sure this file
exists and that you can access it (i.e. open it with a text editor).
You may want to do some introductory tutorials to become a bit more
familiar with Amber as a whole
(
http://ambermd.org/tutorials/#basic_tut).
Hope this helps,
-Dan
> Exiting. All files have been retained.
>
>
>
>
>
>> Date: Sun, 11 Oct 2015 11:28:47 -0400
>> From: jason.swails.gmail.com
>> To: amber.ambermd.org
>> Subject: Re: [AMBER] Error: ptraj is needed for MMPBSA
>>
>> 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
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Oct 12 2015 - 08:00:04 PDT
