PATHSAMPLE
Revision as of 10:32, 29 April 2008 by import>Csw34
PATHSAMPLE is currently documented for two versions, 2.0 and 2.1.
Tutorials
- [[Finding an initial path between two end points (minima)]
- Optimising a path
- Calculating rate constants (GT and fastest path)
- Using BHINTERP to find minima between two end points
- Removing minima and transition states from the database