diff --git a/package/MDAnalysis/analysis/hbonds/hbond_analysis.py b/package/MDAnalysis/analysis/hbonds/hbond_analysis.py index bf18b50edb8..290004f9dce 100644 --- a/package/MDAnalysis/analysis/hbonds/hbond_analysis.py +++ b/package/MDAnalysis/analysis/hbonds/hbond_analysis.py @@ -215,9 +215,8 @@ class HydrogenBondAnalysis_OtherFF(HydrogenBondAnalysis): import MDAnalysis import MDAnalysis.analysis.hbonds - from MDAnalysisTests.datafiles import PSF, DCD - u = MDAnalysis.Universe(PSF, DCD) + u = MDAnalysis.Universe('topology', 'trajectory') h = MDAnalysis.analysis.hbonds.HydrogenBondAnalysis(u, 'protein', distance=3.0, angle=120.0) h.run() @@ -233,6 +232,11 @@ class HydrogenBondAnalysis_OtherFF(HydrogenBondAnalysis): H-bonds or the whole protein when looking at ligand-protein interactions. +.. Note:: + + The topology supplied and the trajectory must reflect the same total number + of atoms. + .. TODO: how to analyse the ouput and notes on selection updating