[AMBER] MCPB.py Value / Syntax error

From: Eleftherios A P Lambros <tlambros.uci.edu>
Date: Mon, 20 Jul 2015 18:13:25 -0700


Last time I was getting a value error when running the gaussian step of
MCPB.py. As instructed, I updated pymsmt to the developmental release which
failed the gaussian test upon installation. Running the test in
src/pymsmt/tests/gaussian yields a program error (I have changed the first
line of script in the Run.pymsmt file from ../../programerror.sh to
$AMBERHOME/AmberTools/test/programerror.sh) This yields a mcpbpy.out file
with an error message ....

SyntaxError: Non-ASCII character '\xc2' in file
on line 679, but no encoding declared;

Line 679 of the said file is

 str(round(fcfinal, 1)) + '±' + str(round(stdv, 1))

Running MCPB.py also yields the same error message.

*Note* I previously installed pymsmt beta 1 which yielded the same value
error as before

What type of encoding should I use for this? Any help is appreciated

Thank You,
Eleftherios Lambros

Mathematics, School of Physical Sciences
Biological Sciences, School of Biological Sciences
University of California: Irvine
President, Anteaters Mathematics Club
Advocacy Committee,  Biological Sciences Student Council
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Received on Mon Jul 20 2015 - 18:30:03 PDT
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