What it does

This tool calculates hydrogen bonds between two segments of the system. Note that a MDAnalysis 'segment' is a larger organizational unit, for example one protein or all the solvent molecules or simply the whole system.

Input

• Trajectory file (DCD).
• PDB file.
• Segment IDs of the two segments.
• Cutoff distance and angle.

Output

• Tabular files containing H-bond frequency, number of H-bonds Per time step, and time steps for each observed H-bond.