WHAM and Umbrella integration
These are methods to calculate free energies from constrained
simulations (umbrella sampling)
Both programs require harmonic restrains and work against simple text
Umbrella integration is more general and the preferable approach.
WHAM is installed in: /home/bio/Wham/
There is a good documentation in the doc directory.
You can just run the command wham to find out the possible flags.
Home page: http://dasher.wustl.edu/alan/wham/index.html
Umbrella integration is installed in /home/bio/Umbrellaintegration
You may run the command ui to get an simple and good documentation.
The source code of both programs are also there.
Author: Johannes Kaestner j.kaestner.at .dl.ac.uk