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Updated docs [skip ci]
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jdetle committed May 3, 2016
1 parent 2bea8be commit 9142426
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions package/MDAnalysis/analysis/hbonds/hbond_analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -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()
Expand All @@ -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
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