Posted by Roland Lindh on January 12, 2009 at 16:37:56:
In Reply to: MEP following posted by Javier González on December 18, 2008 at 17:45:19:
Hi,
these is no automatic way of doing this. This has to be done a bit by hand.
1. use the reference geometry option in Slapaf to specify the TS structure.
2. Perturb the actual structure a little in the direction you would like to go.
3. Start the MEP calculation.