Dear Specialists,
In a featured article by R. Elber, J. Meller, R. Olender, J. Phys. Chem. B, 103, 999-911 (1999), the authors presented a fascinating Molecular Dynamics method which allows actually any arbitrary time-step using a path-integral approach and an efficient error-estimation. They apply this method on folding of a small peptide. Although my question might sound quite plain, I am wondering why this approach is not widely used at present, since with increasing computer time, power and parallelization, very large systems could be considered on a very large timescales. Is it simply the argument that conventional MD is so fast and efficient nowadays that other approaches are not needed any longer, or are there specific issues for that particular method ? I would also excuse myself, since my knowledge in this matter might not be fully sufficient for a discussion. Thanks for your replies -- Emanuel