Adding partially finished OPTIM stationary points to a PATHSAMPLE database

Sometimes a PATHSAMPLE run will end before all of the identified stationary points have been integrated into the databases files. These file can be found in the /scratch directories can be found under /nodescratch/compXX/$USER. More information on the /nodescratch directories is available under /info/mek-quake.txt.

1. Kill any PATHSAMPLE job operating in the directory of focus.

1.5. Backup points.* min.data, and ts.data files.

2. Copy the relavent path.info.<N> files from /nodescratch in the directory of interest.

3. In pathdata the following keywords must be present:

ADDTRIPLE
ADDPATH path.info.<n>
DIJINITCONTFLY 2
CYCLES 0

4. Resubmit the PATHSAMPLE run. --mp466 21:16, 21 October 2008 (BST)