Use a.any or a.all in code line

[Viswanath Vittaladevaram]

Hi,

I am doing md analysis and when I try to use the following command below, I get this error.

python plot_res-z.py -i fnIII-12_SAMch3.res-z -o fnIII-12_SAMch3_res-z.png --nres 92 --nreslabelskip 20 --tlabelskip 2500

Error:

File "plot_res-z.py", line 99, in <module>

    zmin=numpy.floor(min(res_z))

ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Could you please help me how to fix this?

Regards,

Viswanath.V

[Oliver Beckstein]

Hello Viswanath.V,

The plot_res-z.py is not part of MDAnalysis so my comment is just general: this looks like a Python/NumPy issue. You have to fix the code in the script. For a start, find out what “res_z” contains. Then try the commands interactively. Find out exactly which part of the code produces the error: is it min(res_z) or is it the floor function — or is it something else.

Oliver

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Oliver Beckstein (he/his/him)

email: orbe...@mdanalysis.org
twitter: @orbeckst
GitHub: @orbeckst

MDAnalysis – a NumFOCUS fiscally sponsored project
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[Viswanath Vittaladevaram]

Hi,

it is related to min(res-z)

Thanks,

Viswanath.V

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