TURBOMOLE Users Forum
TmoleX - Graphical User Interface => TmoleX - general topics => Topic started by: sprkm on December 15, 2010, 05:03:26 PM
-
Is it possible to run a multidimensional PES scan using TmoleX? I am currently using the Client V3.01 and it seems to generate all of the necessary input files but all of the optimizations fail before any steps are complete. Is there something I am doing wrong or is this simply not supported?
Thanks!
-
I take some of that back. The dscf step does complete but the statpt point does not.