MolDynSim

This is a subproject of TrajLab which is probably the first attempt for a general purpose molecular simulation package in MATLAB. While the authors are aware that many other highly specialized and highly optimized program packages for the same purpose exist (e. g. AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research and teaching!

Started early 2010, MolDynSim is still in an early (alpha) stage, and any help in further development is highly appreciated.

Developed mainly by B. Schmidt (FUB)