Trajectory generation and evaluation

Langevin-type dynamics for all-atom and peptide force-fields

Display of dynamics trajectories with many options

Evaluation of trajectories

• Graphs of (smoothed) time development of various properties
• Time correlation function calculations
• Histograms (two-dimensional)
• Averages

Various properties

• Energy terms
• Distances
• Dihedrals

Display of GROMOS trajectories

Normal mode analysis and display