DYNAMO is a library of Fortran 90 modules that has been designed for the simulation of molecular systems using molecular mechanical (MM) and hybrid quantum mechanical (QM)/MM potential energy functions.

Some of the options that are currently available include:

• The AM1, MNDO and PM3 Semi-Empirical QM Hamiltonians.
• The OPLS-AA MM Force Field.
• Energy Calculations.
• Geometry Optimizations.
• Transition State Searches.
• Reaction Path Calculations.
• Normal Mode Analyses.
• Property Calculations (Charges and Dipoles).
• Molecular Dynamics Calculations.
• Langevin Dynamics Calculations.
• Monte Carlo Calculations.
• Various `Soft' Geometrical Constraints.
• Miscellaneous Analysis Tools.

Features added since the last version include:

• The AM1, MNDO and PM3 Semi-Empirical Methods.
• QM (Semi-Empirical)/MM Hybrid Potential Calculations.
• Path Integral Molecular Dynamics Calculations.
• A Revised Constraints Module.
• Many Minor Improvements and Adjustments.

Items to be released in future versions of DYNAMO include:

• Ab initio QM Methods.
• A Graphical Interface.

All bug reports, calls for help, comments and suggestions for further modifications are welcome and should be addressed to dynamo@ibs.fr.