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 git software image from the group.

[Source] [Documentation] [Example input]

Example input for the disconnectionDPS program for constructing disconnectivity graphs from a PATHSAMPLE database (kinetic transition network) can be found here. [Example disconnectionDPS input]