[molpro-user] how to do reaction path following calculation from non-TS point
MHT
mht at mrdlab.icas.ac.cn
Tue Jun 13 03:43:44 BST 2006
waiting ~_~
On Wed, 7 Jun 2006, MHT wrote:
> 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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