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    Energy profile from P-NEB

    SAMSON Elements
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    • V
      Vladimir 1 last edited by

      Is it possible to get a minimum energy path using the p-NEB app?

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      • Admin
        Admin last edited by

        Hello, the p-NEB app is used to refine a path that is obtained through other means, e.g. the Ligand Path Finder : https://www.samson-connect.net/element/280cac50-31cd-e0ad-76c3-d254cd736967.html or other SAMSON extensions. Do you need the energy itself? The trajectory?

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        • V
          Vladimir 1 last edited by

          Yes, it would be useful to have the energy profile along the path. Not only the height of the barrier, but also its width, shape, etc.

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