To analyze protein-ligand interactions during the course of a simulation you can use the “Analyze Trajectory…” protocol. To do this analysis follow these steps:
- Make sure the ligand is defined in the Receptor-Ligand Interaction Toolbar under View Interactions.
- In the Menu Bar select Structure > Monitor > Non-bond interactions and select which interactions to monitor. Make sure Intermolecular is selected.
- Open the “Analyze Trajectory…” protocol which is located in the Simulation Toolbar under Analyze trajectory.
- In the protocol, under Analysis type select Properties. Under Properties, you should see the previously created monitor (e.g. Non-bond Monitor 1).
Part of the results is a plot with the frequency of the interactions, which may prove useful to visualize the prevalence of the interactions.