an error message running anneal.py
- I was trying to set up the calculation and it worked for the first
time; however I got the error message during the second trial ( the
only thing I changed was the structural constraint file name):
xxx@xxx $ xplor -py anneal.py.out > anneal.py.out
Traceback (most recent call last):
File "<string>", line 2, in ?
File "/home/xiaohu/xplor-nih-2.17.0/python/trace.py", line 180, in run
exec cmd in dict, dict
File "<string>", line 1, in ?
File "anneal.py.out", line 1
XPLOR-NIH version 2.17.0
SyntaxError: invalid syntax
PyInterp::command: error executing: >execfile('anneal.py.out')<
I looked up trace.py, but don't know what to do with it.
Any assistance will be appreciated.
Physics @ Guelph
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> <p>I was trying to set up the calculation and it workedhere you're using an output file as input. You probably want:
> for the first<br>
> time; however I got the error message during the second trial ( the<br>
> only thing I changed was the structural constraint file name): <br>
> xxx@xxx $ xplor -py anneal.py.out > anneal.py.out
xplor -py anneal.py > anneal.py.out
hope this helps--
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