VMD-L Mailing List

From: Ebert Maximilian (m.ebert_at_umontreal.ca)
Date: Wed Sep 23 2015 - 14:11:06 CDT

Hi there,

I did implicit ligand sampling on my simulation and identified some channels. Now I would like to write plot the landscape along these tunnels from the bulk to the center of the protein. How could I do that? Also how can I get the energy value from the PMF in specific coordinate? I saw vol0 and interpvol0. What are the differences?

Thank you very much,

Max