A common warning that I have is:
/lib/python3.8/site-packages/MDAnalysis/analysis/hbonds/hbond_autocorrel.py:52: DeprecationWarning: This module was moved to MDAnalysis.analysis.hydrogenbonds.hbond_autocorrel; hbonds.hbond_autocorrel will be removed in 3.0.0.
But, it is not seen to be something problematic. In the original line:
for bin in range(bins):
print("{AD_analysisOH} {AD_analysisHH} {AD_analysisDip}".format(AD_analysis.graph0=AD_analysis.graph[0][bin], AD_analysis.graph1=AD_analysis.graph[1][bin],AD_analysis.graph2=AD_analysis.graph[2][bin]))
I had by separate, after modificate the code, two errors:
1) print("{AD_analysisOH} {AD_analysisHH} {AD_analysisDip}".format(AD_analysis.graph0=AD_analysis.graph[0][bin], AD_analysis.graph1=AD_analysis.graph[1][bin],AD_analysis.graph2=AD_analysis.graph[2][bin]))
^
SyntaxError: expression cannot contain assignment, perhaps you meant "=="?
2) print("{AD_analysisOH} {AD_analysisHH} {AD_analysisDip}".format(AD_analysis.graph0==AD_analysis.graph[0][bin], AD_analysis.graph1==AD_analysis.graph[1][bin],AD_analysis.graph2==AD_analysis.graph[2][bin]))
AttributeError: 'AngularDistribution' object has no attribute 'graph0'
In my final code, modifications are highlighted with black::
for bin in range(bins):
print("{AD_analysisOH} {AD_analysisHH} {AD_analysisDip}".format(AD_analysis.graph[0]==AD_analysis.graph[0][bin], AD_analysis.graph[1]==AD_analysis.graph[1][bin],AD_analysis.graph[2]==AD_analysis.graph[2][bin]))
After change that I get the next error:
print("{AD_analysisOH} {AD_analysisHH} {AD_analysisDip}".format(AD_analysis.graph[0]==AD_analysis.graph[0][bin], AD_analysis.graph[1]==AD_analysis.graph[1][bin],AD_analysis.graph[2]==AD_analysis.graph[2][bin]))
KeyError: 'AD_analysisOH'
I am not sure how to solve it. Thank you for your time and help.