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How to include pre-determined activation barriers #140

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kra268 opened this issue May 27, 2021 · 0 comments
Open

How to include pre-determined activation barriers #140

kra268 opened this issue May 27, 2021 · 0 comments

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@kra268
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kra268 commented May 27, 2021

Hi!
I have calculated the activation barrier for the elementary steps. The tutorial does not explain a situation where I have the TS (or I may have missed somehow). Can you help me understand how to include the Ea/TS from my calculations directly/manually on catMAP?
Thank you!
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@kra268