Molecular Simulation Links

Links to Simulation Resources

• A major repository of (FORTRAN) molecular simulation programs including DL_POLY and DL_PROTEIN.
• Description of many molecular dynamics algorithms.
• MD package for polypeptides.
• This site promises a web-based molecular simulation book. At the time of writing, the first chapter had not been posted.
• Many links to computational chemistry sites.
• Discusses the possible development of a 'nanocomputer'
• Many links to computational software.
• Molecular modelling tookit written in an object-oriented language.
• Parallel MD code
• Graphical illustration of the use of Java for MD.
• Description of a massively parallel grandcanonical MC simulation.
• Information on the application of the Car-Parrinello method.
• A general purpose MD program (Moldy).
• MD package implemented in C++
• Description and source code for the GROMOS MD program
• Links to scientific computing applications
• Many links to n-body simulation.