Restarting Growing String Calculation

To restart a double ended growing string job, rename the latest version of to (same number) and add this line to the inpfileq in the string info part:

RESTART          1

All the other input files mentioned in growing string calculation section are also needed. Submit the job like usual.

The current version of the surface GSM does not support restarting single ended calculations. However, you can restart it as a double ended calculation. Follow the directions given above, additionally, replace the structure in file with optimized reactant and product structures from single ended calculation (first and last node of the string file) and change the string type and number of nodes in the input file (inpfileq) to GSM and number of existing nodes on the output string file (# of nodes generated from single ended calculation).