SDA example run "cytf-pc-et"

This example can be found in directory examples/cytf-pc-et.
The following subdirectories are present in directory cytf-pc-et:

run-hits/	Results of the example run script for electron transfer rates at HITS
data/	Data files (pdb and input files) needed for running the example
doc/	Documentation
scr/	Scripts to do the example run

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Electron transfer, cytochrome f and plastocyanin

A set of results for this example can be found in run-hits/. You can run the example using the script scr/cytf-pc-et-prepare-and-run. .  In order to execute this script locally, you need to define 2 parameters - location of SDA distribution directory and location of UHBD executable.
This example contains a short adaption of a short version of a run performed for the analysis described in Gabdoulline RR and Wade RC, J. Am. Chem. Soc. (2009), 131, 9320-9238 (wild type, 100mM ionic strength).
The table given by the SDA output lists the following parameters from the paper: W (in units of kT), k_et, beta, eemin.
A gnuplot script to plot the rate constants is given in the "scr" subdirectory. An example run shows the following result: