[AMBER] How to plot the Phi-Psi picture in Section 7 of “Tutorial 6.6 Nudged Elastic Band (NEB) simulations”?

From: Li Dailin <lidl25.hotmail.com>
Date: Wed, 3 Mar 2021 04:10:01 +0000

I am trying the NEB tutorial (“Tutorial 6.6 Nudged Elastic Band (NEB) simulations”) on the Amber homepage. In the end of Section 7, the Phi-Psi value along with the potential energy surface was drawn. I am wondering how the figure was done since only 32 Phi-Psi-Energy dots were obtained from Section 1 to 6. Where the other energy data come from and how to extract them from files? Thanks a lot for your reply.


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Received on Tue Mar 02 2021 - 20:30:02 PST
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