[molpro-user] how to do reaction path following calculation from non-TS point

MHT mht at mrdlab.icas.ac.cn
Wed Jun 7 14:10:05 BST 2006


Dear All,

before reaction path following calculation, molpro will check out whether 
the starting point is TS or not, if not, it will abandon.
however, I want to do the reaction path following calculation from 
a non-stationary point, so how to work it out!

many thanks 

MHT




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