PATHSAMPLE: A driver for OPTIM to create stationary point databases using discrete path sampling and perform kinetic analysis

PATHSAMPLE is distributed free of charge under the GPL as part of the current svn software image from the group.
The Makefiles assume that the source is located in /home/$USER/svn.

Example input

The example input provided here has been tested with the version of PATHSAMPLE specified in the README file within each archive. If it no longer works with a more recent version, please inform a member of the Wales group.



[Source] [Documentation]