Results

- Slow-response Quenched Velocity Verlet
- Choice of the Force Constant
- Comparison of SQVV and L-BFGS Minimisers for the MB Surface
- Doubly Nudged Elastic Bands
- Comparison of the DNEB/L-BFGS and DNEB/SQVV Methods for Permutational Isomerisations of LJ
- A Revised Connection Algorithm
- Applications to Isomerisation of LJ and LJ
- A Dijkstra-based Selector
- Applications to Tryptophan Zippers

Semen A Trygubenko 2006-04-10