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Issues with python plotting graphs

Open cgseitz opened this issue 3 years ago • 4 comments

Hello,

After running chap and selecting water to analyze, I created the free energy profile, hydrophobicity profile, radius profile and solvent number density profile graphs from here: https://www.channotation.org/docs/plotting_python/

The free energy profile and radius profile graphs look realistic.

  1. The hydrophobicity profile graph is a straight line at 0. There are no dots on the graph to show the hydrophobicity profile. Do you know why the hydrophobicities are not being read?

  2. The solvent number density profile graph for water contains consistent density around ~5-10 nm^-3. However, the pore being analyzed is huge (3-4 nm wide) so I would assume there is a free passage of water through the pore, and that the density should be closer to free water density (~33 nm^-3). Do you know why the solvent density would be lower than free water? Is this realistic?

Thanks for your help!

cgseitz avatar Oct 11 '21 18:10 cgseitz